CaO.bib

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@ARTICLE{75AuAnxx.CaO,
  author = {Ault, B S and Andrews, L},
  title = {{NITROGEN MATRIX REACTIONS OF ALKALINE-EARTH METAL ATOMS WITH OZONE
	- INFRARED-SPECTRA OF ALKALINE-EARTH METAL-OXIDE MOLECULES}},
  journal = JCP,
  year = {1975},
  volume = {62},
  pages = {2320-2327},
  doi = {10.1063/1.430757},
  keywords = {Experiment}
}

@ARTICLE{90BaFix1.CaO,
  author = {Baldwin, D P and Field, R W},
  title = {{DISPERSED LASER FLUORESCENCE SPECTROSCOPY OF THE PERTURBATION FACILITATED
	B1-PI-B3-SIGMA+(1,1) BAND OF CAO}},
  journal = JMS,
  year = {1990},
  volume = {139},
  pages = {77-83},
  doi = {10.1016/0022-2852(90)90243-J},
  keywords = {Experiment}
}

@ARTICLE{90BaFixx.CaO,
  author = {Baldwin, D P and Field, R W},
  title = {{THE F1II-A'1-PI(0,0) AND B1-PI-A'1-PI(1,0) GREEN-BAND TRANSITIONS
	OF CAO}},
  journal = JMS,
  year = {1990},
  volume = {139},
  pages = {68-76},
  doi = {10.1016/0022-2852(90)90242-I},
  keywords = {Experiment}
}

@ARTICLE{89BaFixx.CaO,
  author = {Baldwin, D P and Field, R W},
  title = {{THE C'1-SIGMA+-A'1-PI (0, 0) AND (1, 1) BANDS OF CAO}},
  journal = JMS,
  year = {1989},
  volume = {133},
  pages = {90-95},
  doi = {10.1016/0022-2852(89)90245-2},
  keywords = {Experiment}
}

@ARTICLE{90BaNoSo.CaO,
  author = {Baldwin, D P and Norman, J B and Soltz, R A and Sur, A and Field,
	R W},
  title = {{THE E3-SIGMA--A3-PI(0,0) AND E1-SIGMA--A'1-PI(0,0), (1, 1), AND
	(2, 2) BANDS OF CAO - MULTISTATE DEPERTURBATION OF THE E3-SIGMA-(V=O)
	- C3-SIGMA+(V=1) - E1-SIGMA-(V=O) SYSTEM}},
  journal = JMS,
  year = {1990},
  volume = {139},
  pages = {39-67},
  doi = {10.1016/0022-2852(90)90241-H},
  keywords = {Experiment}
}

@ARTICLE{83BaPaxx.CaO,
  author = {Bauschlicher, C W and Partridge, H},
  title = {THE DISSOCIATION-ENERGY OF CAO},
  journal = CPL,
  year = {1983},
  volume = {94},
  pages = {366-368},
  doi = {10.1016/0009-2614(83)80746-5},
  keywords = {Ab inito}
}

@ARTICLE{78BaYaxx.CaO,
  author = {Bauschlicher, C W and Yarkony, D R},
  title = {{ELECTRONIC-STRUCTURE OF CAO .1.}},
  journal = JCP,
  year = {1978},
  volume = {68},
  pages = {3990-3997},
  doi = {10.1063/1.436312},
  keywords = {Ab inito}
}

@ARTICLE{77BeSlLo.CaO,
  author = {Benard, D J and Slafer, W D and Love, P J and Lee, P H},
  title = {{MODULATED TRANSMISSION SPECTROSCOPY OF GASEOUS CHEMI-EXCITED CA
	AND SR MONOXIDES}},
  journal = AO,
  year = {1977},
  volume = {16},
  pages = {2108-2115},
  doi = {10.1364/AO.16.002108},
  keywords = {Experiment}
}

@INCOLLECTION{01BeLiSk.CaO,
  author = {Bernath, P and Li, H and Skelton, R and Pinchemel, B and Focsa, C
	and Le Roy, R J},
  title = {Experiment; High resolution infrared emission spectroscopy of CaO,
	SrO and BaO chemiluminescence},
  booktitle = {FOURIER TRANSFORM SPECTROSCOPY, TECHNICAL DIGEST},
  publisher = {Optical Soc. America},
  year = {2001},
  volume = {51},
  series = {OSA TRENDS IN OPTICS AND PHOTONICS},
  pages = {160},
  abstract = {Chemiluminescence from the reactions of Ca, Sr and Ba with N2O has
	been studied in the infrared and near infrared region. The Broida
	oven flow reactor proved to be an excellent molecular source. (C)
	2000 Optical Society of America.},
  keywords = {Experiment},
  keywords-plus = {FOURIER-TRANSFORM SPECTROSCOPY}
}

@ARTICLE{88BlHexx.CaO,
  author = {Blom, C E and Hedderich, H G},
  title = {{THE INFRARED-SPECTRUM OF CALCIUM-OXIDE IN THE GAS-PHASE}},
  journal = CPL,
  year = {1988},
  volume = {145},
  pages = {143-145},
  doi = {10.1016/0009-2614(88)80167-2},
  keywords = {Experiment}
}

@ARTICLE{68BrHaxx.CaO,
  author = {Brewer, L and Hauge, R},
  title = {{NEAR INFRARED BANDS OF DIATOMIC CAO AND SRO}},
  journal = JMS,
  year = {1968},
  volume = {25},
  pages = {330-339},
  doi = {10.1016/S0022-2852(68)80046-3},
  keywords = {Experiment}
}

@ARTICLE{72BrWaxx.CaO,
  author = {Brewer, L and Wang, J L F},
  title = {{GROUND STATE OF GASEOUS CAO - STUDY OF MATRIX SPECTRA OF CA AND
	CAO}},
  journal = JCP,
  year = {1972},
  volume = {56},
  pages = {4305-4309},
  doi = {10.1063/1.1677862},
  keywords = {Experiment}
}

@ARTICLE{00BrRoxx.CaO,
  author = {Bridgeman, A J and Rothery, J},
  title = {{Periodic trends in the diatomic monoxides and monosulfides of the
	3d transition metals}},
  journal = {J. Chem. Soc. Dalton Trans.},
  year = {2000},
  pages = {211-218},
  abstract = {Non-local, density functional calculations have been performed on
	the ground and low-lying excited states of the 3d transition metal
	monoxide and monosulfide molecules. Periodic trends in properties
	such as bond lengths, bond energies, vibrational force constants
	and dipole moments are examined. The variations in the bond lengths
	and energies are compared to those in the monoxide and monosulfide
	solids. Analysis of the electronic structures of the molecules reveals
	the d-orbital splitting to be d(pi)> d(sigma)greater than or equal
	to d(delta) and shows the non-bonding role of the d(sigma) and d(delta)
	functions. This sequence mirrors that in the electronically related
	dichloride molecules and leads to similarities in the periodic trends
	with those in the solids. Systematic errors in the calculated bond
	energies and vibrational frequencies are identified. The successful
	use of a correctly parameterized ligand-field model is reported allowing
	quantitative reproduction of the `d-d' spectra of the monoxide molecules
	and the prediction of band positions of unassigned transitions.},
  doi = {10.1039/a906523g},
  keywords = {Ab inito},
  keywords-plus = {ELECTRONIC-STRUCTURE; ABINITIO; OXIDES; APPROXIMATION; STATES; ENERGY;
	IRON; FEO; COO}
}

@ARTICLE{12BuLixx.CaO,
  author = {Buenker, R J and Liebermann, H.-P.},
  title = {{Ab initio study of the positronation of the CaO and SrO molecules
	including calculation of annihilation rates}},
  journal = JCC,
  year = {2012},
  volume = {33},
  pages = {1594-1602},
  abstract = {Ab initio multireference single- and double-excitation configuration
	interaction calculations have been performed to compute potential
	curves for ground and excited states of the CaO and SrO molecules
	and their positronic complexes, e+CaO, and e+SrO. The adiabatic dissociation
	limit for the 2S+ lowest states of the latter systems consists of
	the positive metal ion ground state (M+) and the OPs complex (e+O-),
	although the lowest energy limit is thought to be e+M + O. Good agreement
	is found between the calculated and experimental spectroscopic constants
	for the neutral diatomics wherever available. The positron affinity
	of the closed-shell X 1S+ ground states of both systems is found
	to lie in the 0.160.19 eV range, less than half the corresponding
	values for the lighter members of the alkaline earth monoxide series,
	BeO and MgO. Annihilation rates (ARs) have been calculated for all
	four positronated systems for the first time. The variation with
	bond distance is generally similar to what has been found earlier
	for the alkali monoxide series of positronic complexes, falling off
	gradually from the OPs AR value at their respective dissociation
	limits. The e+SrO system shows some exceptional behavior, however,
	with its AR value reaching a minimum at a relatively large bond distance
	and then rising to more than twice the OPs value close to its equilibrium
	distance. (c) 2012 Wiley Periodicals, Inc.},
  doi = {10.1002/jcc.22992},
  keywords = {ab initio; positron; annihilation rate; molecule; oxide},
  keywords-plus = {LEVEL-CORRELATED CALCULATIONS; POLARIZED BASIS-SETS; CONFIGURATION-INTERACTION
	CALCULATIONS; QUANTUM MONTE-CARLO; ELECTRIC PROPERTIES; DISSOCIATION
	ENERGY; ALKALINE-EARTH; CI CALCULATIONS; ATOMS; HYDRIDES}
}

@ARTICLE{70CaKaMo.CaO,
  author = {Carlson, K D and Kaiser, K and Moser, C and Wahl, A C},
  title = {{ELECTRONIC STRUCTURE AND LOW-LYING TRIPLET STATES OF CAO}},
  journal = JCP,
  year = {1970},
  volume = {52},
  pages = {4678-4691},
  doi = {10.1063/1.1673700},
  keywords = {Ab inito}
}

@ARTICLE{11Chxxxx.CaO,
  author = {Child, C D},
  title = {{Discharge from hot CaO.}},
  journal = PR,
  year = {1911},
  volume = {32},
  pages = {0492-0511},
  doi = {10.1103/PhysRevSeriesI.32.492},
  keywords = {Experiment}
}

@ARTICLE{77CrHoPe.CaO,
  author = {Creswell, R A and Hocking, W H and Pearson, E F},
  title = {{MILLIMETER WAVE SPECTRUM OF CAO}},
  journal = CPL,
  year = {1977},
  volume = {48},
  pages = {369-371},
  doi = {10.1016/0009-2614(77)80335-7},
  keywords = {Experiment}
}

@ARTICLE{83Dixxxx.CaO,
  author = {Diffenderfer, R N},
  title = {{CORRECTION}},
  journal = JCP,
  year = {1983},
  volume = {78},
  pages = {7017},
  doi = {10.1063/1.445493},
  keywords = {Ab inito}
}

@ARTICLE{82DiYaxx.CaO,
  author = {Diffenderfer, R N and Yarkony, D R},
  title = {{THE ELECTRONIC-STRUCTURE OF CAO .2. AN MCSCF/CL TREATMENT OF THE
	LOW-LYING 1-SIGMA+ AND 1-PI STATES}},
  journal = JCP,
  year = {1982},
  volume = {77},
  pages = {5573-5580},
  doi = {10.1063/1.443763},
  keywords = {Ab inito}
}

@ARTICLE{64DrVeEx.CaO,
  author = {Drowart, J and Verhaegen, G and Exsteen, G},
  title = {{MASS SPECTROMETRIC DETERMINATION OF DISSOCIATION ENERGY OF MOLECULES
	MGO CAO SRO + SR2O}},
  journal = {T. Faraday Soc.},
  year = {1964},
  volume = {60},
  pages = {1920-1933},
  doi = {10.1039/tf9646001920},
  keywords = {Experiment}
}

@ARTICLE{80Enxxxx.CaO,
  author = {England, W},
  title = {{THEORETICAL-STUDY OF CALCIUM-OXIDE}},
  journal = {Bul. Am. Phys. Soc.},
  year = {1980},
  volume = {25},
  pages = {172},
  keywords = {Ab inito}
}

@ARTICLE{80Enxxx1.CaO,
  author = {England, W B},
  title = {{ABINITIO STUDY OF CAO - THE IMPORTANCE OF ATOMIC CORRELATION AND
	A BONDLENGTH QUESTION}},
  journal = CP,
  year = {1980},
  volume = {53},
  pages = {1-21},
  doi = {10.1016/0301-0104(80)87048-0},
  keywords = {Ab inito}
}

@ARTICLE{76FaSrxx.CaO,
  author = {Farber, M and Srivastava, R D},
  title = {{DISSOCIATION-ENERGIES OF CALCIUM-OXIDE AND STRONTIUM OXIDE}},
  journal = {High Temp. Sci.},
  year = {1976},
  volume = {8},
  pages = {73-80},
  keywords = {Experiment}
}

@ARTICLE{75Fixxxx.CaO,
  author = {Field, R W},
  title = {{CORRECTION}},
  journal = JMS,
  year = {1975},
  volume = {57},
  pages = {321},
  doi = {10.1016/0022-2852(75)90037-5},
  keywords = {Experiment}
}

@ARTICLE{74Fixxxx.CaO,
  author = {Field, R W},
  title = {{ASSIGNMENT OF LOWEST PI-3 AND PI-1 STATES OF CAO, SRO, AND BAO}},
  journal = JCP,
  year = {1974},
  volume = {60},
  pages = {2400-2413},
  doi = {10.1063/1.1681375},
  keywords = {Experiment}
}

@ARTICLE{75FiCaJo.CaO,
  author = {Field, R W and Capelle, G A and Jones, C R},
  title = {{A'1 PI-X1SIGMA-SYSTEM OF CAO}},
  journal = JMS,
  year = {1975},
  volume = {54},
  pages = {156-159},
  doi = {10.1016/0022-2852(75)90017-X},
  keywords = {Experiment}
}

@ARTICLE{00FoPoPi.CaO,
  author = {Focsa, C and Poclet, A and Pinchemel, B and Le Roy, R J and Bernath,
	P F},
  title = {{Fourier transform spectroscopy of the A `(1)Pi-X-1 Sigma(+) system
	of CaO}},
  journal = JMS,
  year = {2000},
  volume = {203},
  pages = {330-338},
  abstract = {The A'(1)Pi(1)Sigma(+) near-infrared system of CaO was observed for
	the first time at high resolution using a Fourier transform spectrometer.
	The A'(1)Pi-X'Sigma(+) chemiluminescence was excited in a Ca + N2O
	flame produced in a Broida-type oven. More than 3000 rotational lines,
	classified into 19 bands involving the A'1 Pi 0 less than or equal
	to nu' less than or equal to 3 and the X(1)Sigma(+) 1 less than or
	equal to nu{''} less than or equal to 7 vibrational levels were measured
	in the 4000-10 000 cm(-1) region with a precision of 0.005 cm(-1).
	The X(1)Sigma(+) (nu = 0, 1) millimeter-wave and X(1)Sigma(+) (v
	= 0-3) infrared data available in the literature were merged with
	our new electronic data in order to obtain improved Dunham constants
	for the ground state of CaO. Very peculiar perturbations are observed
	in the higher vibrational levels of the A'(1)Pi state, so the upper
	levels of transitions with nu' = 2 and 3 were represented by term
	values in our least-squares analysis. The interaction of the A'(1)Pi
	(nu greater than or equal to 2) levels with the nearby b(3)Sigma(+)
	(nu-2) levels has been detected. An extended set of A'(1)Pi (nu =
	0-3) data has been obtained which is suitable for use in a future
	multistate departurbation analysis of the a(3)Pi similar to A'(1)Pi
	similar to b(3)Sigma(+) similar to A(1)Sigma(+) complex of excited
	states. The new near-infrared spectra of the A'(1)Pi-X-1 Sigma(+)
	transition of CaO also permits the first direct high-resolution linkage
	between the orange and green systems and the near-infrared bands.
	(C) 2000 Academic Press.},
  doi = {10.1006/jmsp.2000.8187},
  keywords = {Experiment},
  keywords-plus = {FTIR EMISSION-SPECTRA; MOLECULAR-CONSTANTS; ELECTRONIC-STRUCTURE;
	POTENTIAL CURVE; ALKALINE-EARTH; METAL-OXIDES; BANDS; SRO; BAO; DEPERTURBATION}
}

@ARTICLE{82FrKrxx.CaO,
  author = {Frank, P and Krauss, L},
  title = {{A NEW CONTRIBUTION TOWARDS EXPLAINING THE ORIGIN OF THE GREEN AND
	ORANGE BANDS OF CAO}},
  journal = SCAA,
  year = {1982},
  volume = {37},
  pages = {281-291},
  doi = {10.1016/0584-8547(82)80065-7},
  keywords = {Experiment}
}

@ARTICLE{00FuSaxx.CaO,
  author = {Fuentealba, P and Savin, A},
  title = {{Electronic structure and bonding of the ground state of alkaline-earth-metal
	monoxides and carbides}},
  journal = JPCA,
  year = {2000},
  volume = {104},
  pages = {10882-10886},
  abstract = {The electronic structure of the ground state of monoxides MO and carbides
	MC2 with M an alkaline-earth-metal atom (Be to Ba) has been investigated.
	Bond energies, vibrational frequencies, dipole moments and equilibrium
	bond lengths have been calculated using a hybrid density functional
	method. To understand the bonding characteristics, the ELF (electron
	localization function) and the NBO (natural bond orbitals) have been
	used. It has been found that despite many similarities between the
	monoxides and the carbides there is a difference in the bond formation.
	The results suggest that in the monoxides, and not in the carbides,
	a change in the type of bonding occurrs in going from the beryllium
	compound to the barium compound. For the carbides, all of them present
	an ionic bonding with a most favorable bent structure.},
  doi = {10.1021/jp001669v},
  keywords = {Ab inito},
  keywords-plus = {LOCALIZATION FUNCTION; TOPOLOGICAL ANALYSIS; MGO}
}

@ARTICLE{05VaTuFo.CaO,
  author = {van Groenendael, A and Tudorie, M and Focsa, C and Pinchemel, B and
	Bernath, P F},
  title = {{High-resolution Fourier transform spectroscopy of the CaO A(1)Sigma(+)-X-1
	Sigma(+) transition: New insights into perturbations by the a(3)Pi(0+)
	and A(1)Pi states}},
  journal = JMS,
  year = {2005},
  volume = {234},
  pages = {255-263},
  abstract = {The emission spectrum of the A(1)Sigma(+) - X(1)Sigma(+) transition
	of CaO has been recorded at a resolution of 0.03 cm(-1) using a Fourier
	transform spectrometer in the 10000-15000 cm(-1) spectral range.
	New information has been collected for the low-J term values of several
	vibrational levels of the A(1)Sigma(+) state and also for the perturbing
	states. For example, about 40 term values of a(3)Pi(0)+ (v = 6) level
	{[}which perturbs the A(1)Sigma(+)(v = 0) level] have been identified
	for the first time. A least squares procedure has been used to determine
	the vibrational and rotational constants of these states. In each
	case an empirical 2 x 2 matrix has been used with an off-diagonal
	term linking the two electronic states to account for the interaction.
	Our study is limited to perturbations for which extensive experimental
	information is available for both interacting states. The derived
	constants, especially the off-diagonal coupling constants, are in
	agreement with those published by R.W. Field {[}J. Chem. Phys. 60
	(1974) 2400-2413]. (c) 2005 Elsevier Inc. All rights reserved.},
  doi = {10.1016/j.jms.2005.09.012},
  keywords = {Experiment; high-resolution Fourier transform spectroscopy; perturbations;
	calcium oxide diatomic molecule},
  keywords-plus = {A'(1)PI-X-1-SIGMA(+) SYSTEM; SRO; CHEMILUMINESCENCE; BAO; CONSTANTS}
}

@ARTICLE{89HeBlxx.CaO,
  author = {Hedderich, H G and Blom, C E},
  title = {{FLAME DIAGNOSTICS AND MOLECULAR-CONSTANTS OF CAO BY TUNABLE DIODE-LASER
	SPECTROSCOPY}},
  journal = JCP,
  year = {1989},
  volume = {90},
  pages = {4660-4663},
  doi = {10.1063/1.456610},
  keywords = {Ab inito}
}

@ARTICLE{78HoPeCr.CaO,
  author = {Hocking, W H and Pearson, E F and Creswell, R A and Winnewisser,
	G},
  title = {{MILLIMETER WAVE SPECTRA OF ALKALINE-EARTH METAL-OXIDES - BAO, SRO,
	AND CAO}},
  journal = JCP,
  year = {1978},
  volume = {68},
  pages = {1128-1134},
  doi = {10.1063/1.435800},
  keywords = {Experiment}
}

@ARTICLE{79HoWiCh.CaO,
  author = {Hocking, W H and Winnewisser, G and Churchwell, E and Percival, J},
  title = {{SEARCH FOR CAO AT MM-WAVELENGTHS IN STARS AND MOLECULAR CLOUDS}},
  journal = AA,
  year = {1979},
  volume = {75},
  pages = {268-272},
  keywords = {Astrophysics},
}

@ARTICLE{51HuLaxx.CaO,
  author = {Hultin, M and Lagerqvist, A},
  title = {{AN INFRA-RED BAND-SYSTEM OF CALCIUM OXIDE}},
  journal = {Ark. Fys.},
  year = {1951},
  volume = {2},
  pages = {471-507},
  keywords = {Experiment}
}

@ARTICLE{87IgDoWe.CaO,
  author = {Igelmann, G and Dolg, M and Wedig, U and Preuss, H and Stoll, H},
  title = {{COMPARISON OF ABINITIO AND SEMIEMPIRICAL PSEUDOPOTENTIALS FOR CA
	IN CALCULATIONS FOR CAO}},
  journal = JCP,
  year = {1987},
  volume = {86},
  pages = {6348-6351},
  doi = {10.1063/1.452420},
  keywords = {Ab inito}
}

@ARTICLE{88IgStPr.CaO,
  author = {Igelmann, G and Stoll, H and Preuss, H},
  title = {{PSEUDOPOTENTIAL STUDY OF MONOHYDRIDES AND MONOXIDES OF MAIN GROUP
	ELEMENTS K THROUGH BR}},
  journal = MP,
  year = {1988},
  volume = {65},
  pages = {1329-1336},
  doi = {10.1080/00268978800101821},
  keywords = {Ab inito}
}

@ARTICLE{70Joxxxx.CaO,
  author = {Johansen, H},
  title = {{Rotational Perturbations and Low-Lying Electronic States of Cao.
	Ph.D. Thesis.}},
  journal = {Thesis Calif. Univ. Berkeley: Lawrence Radiation Lab},
  year = {1970},
  pages = {108},
  abstract = {For abstract, see NSA 24 24, number 53071.},
  keywords = {Experiment; Calcium oxides}
}

@ARTICLE{11KhBrLe.CaO,
  author = {Khalil, H and Brites, V and Le Quere, F and Leonard, C},
  title = {{Ab initio study of the low-lying electronic states of the CaO molecule}},
  journal = CP,
  year = {2011},
  volume = {386},
  pages = {50-55},
  abstract = {Highly correlated ab initio calculations have been performed for an
	accurate determination of the electronic structure of the low-lying
	electronic states of the CaO molecule. The computations are done
	using the aug-cc-pV5Z basis set for O and the cc-pCV5Z for Ca. The
	potential energy curves for the molecular states correlating to the
	lowest three asymptotes are calculated at the CASSCF level. The potential
	curves of the lowest five molecular states, X(1)Sigma(+), a(3)Pi,
	A'(1)Pi, b(3)Sigma(+) and A(1)Sigma(+), and the corresponding dipole
	moment functions have been determined using internally contracted
	multi-reference configuration interaction approaches. The spectroscopic
	constants associated with these electronic states are compared to
	experimental values. The corresponding electronic wavefunctions have
	also been analyzed using the dipole moment functions. (C) 2011 Elsevier
	B. V. All rights reserved.},
  doi = {10.1016/j.chemphys.2011.05.023},
  keywords = {Ab inito; Electronic structure calculations; Diatomic molecule; Dipole
	moment; Electronic excited states; Core-valence correlation; Configuration
	interaction},
  keywords-plus = {CONFIGURATION-INTERACTION CALCULATIONS; FOURIER-TRANSFORM SPECTROSCOPY;
	GROUND-STATE; BASIS-SETS; ENERGY; ALKALI; SYSTEM; ATOMS; BAND; SRO}
}

@ARTICLE{12KhLeBr.CaO,
  author = {Khalil, H. and Le Quere, F. and Brites, V. and Leonard, C.},
  title = {{Theoretical Study of the Rovibronic States of CaO}},
  journal = JMS,
  year = {2012},
  volume = {271},
  pages = {1-9},
  abstract = {The spin-rovibronic energy levels of CaO, which result from the couplings
	of X(1)Sigma(+), a(3)Pi, A'(1)Pi, b(3)Sigma(+), and A(1)Sigma(+)
	low-lying electronic states, are determined from wave packet time
	propagations and Prony analysis. The electronic potentials were taken
	from our previous study {[}Chem. Phys., 386, 50 (2011)]. The spin-orbit
	and (L) over cap coupling functions were determined by CASSCF and
	MRCI calculations. The effects of spin-orbit coupling on vibrational
	levels were analyzed in the Omega=0(+), 0(-), 1 coupling schemes.
	All spin-vibronic energy levels associated with the a(3)Pi, A'(1)Pi,
	b(3)Sigma(+), and A(1)Sigma(+) states were determined up to 16000
	cm(-1) above the electronic ground-state minimum. The results obtained
	from the spin-orbit coupling functions are in remarkable agreement
	with the experimental data extracted using a deperturbation procedure.
	The final energies calculated for J = 2 and J = 25 are used to compare
	the experimental observations concerning the X(1)Sigma(+)-A(1)Sigma(+)
	transition. (C) 2011 Elsevier Inc. All rights reserved.},
  doi = {10.1016/j.jms.2011.10.004},
  keywords = {Ab inito; Calcium oxide; ab initio spin-rovibronic states; Spin-orbit
	couplings; Angular momenta couplings},
  keywords-plus = {CONFIGURATION-INTERACTION CALCULATIONS; FOURIER-TRANSFORM SPECTROSCOPY;
	AB-INITIO; MOLECULE; SYSTEM; BANDS; SRO}
}

@ARTICLE{89KoToPe.CaO,
  author = {Kovba, V M and Topol, I A and Pershin, Y V},
  title = {{A SYSTEM OF THE EXCITED ELECTRONIC STATES AND MOLECULAR-CONSTANTS
	OF CALCIUM, STRONTIUM AND BARIUM MONOXIDES}},
  journal = {Vestn. Mosk. Univ. Seriya 2 Khimiya},
  year = {1989},
  volume = {30},
  pages = {442-450},
  keywords = {Experiment}
}

@ARTICLE{54Laxxxx.CaO,
  author = {Lagerqvist, A},
  title = {{ULTRA-VIOLET AND BLUE BANDS OF CALCIUM OXIDE}},
  journal = {Ark. Fys.},
  year = {1954},
  volume = {8},
  pages = {83-95},
  keywords = {Experiment}
}

@ARTICLE{54LaHux1.CaO,
  author = {Lagerqvist, A and Huldt, L},
  title = {{{*}UBER DIE HOHE DER ANGEREGTEN ELEKTRONENZUSTANDE VON CAO, SRO
	AND BAO}},
  journal = {Ark. Fys.},
  year = {1954},
  volume = {8},
  pages = {427-432},
  keywords = {Experiment}
}

@ARTICLE{54LaHuxx.CaO,
  author = {Lagerqvist, A and Huldt, L},
  title = {{DIE DISSOZIATIONSENERGIEN VON CAO SRO UND BAO}},
  journal = {Z. Naturfors. A},
  year = {1954},
  volume = {9},
  pages = {991-992},
  keywords = {Experiment},
}

@ARTICLE{93MaHaSa.CaO,
  author = {Mackrodt, W C and Harrison, N M and Saunders, V R and Allan, N L
	and Towler, M D and Apra, E and Dovesi, R},
  title = {{AB-INITIO HARTREE-FOCK CALCULATIONS OF CAO, VO, MNO AND NIO}},
  journal = {Philos. Mag. A-Phys. Condens. Matter Struct. Defect Mech. Prop.},
  year = {1993},
  volume = {68},
  pages = {653-666},
  abstract = {Ab initio Hartree-Fock calculations are reported of the electronic
	structures of CaO, VO, MnO and NiO. They are found to be essentially
	ionic in nature with ground states that are insulating, and, in the
	case of VO, MnO and NiO, high-spin antiferromagnetic. Calculated
	lattice parameters, binding energies and bulk moduli compare in accuracy
	with those for closed-shell oxides such as Li2O, MgO and Al2O3. Differences
	are found in the upper part of the valence band between VO and MnO
	and NiO. In VO it is predominantly V(3d) in character, whereas in
	both MnO and NiO it is O(2p). In the case of NiO this seems to be
	in accord with oxygen K-edge data for LixNi1-xO.},
  doi = {10.1080/01418619308213989},
  keywords = {Ab inito},
  keywords-plus = {EXTENDED BASIS SET; ELECTRONIC-STRUCTURE; MOTT INSULATORS; OXIDE;
	BAND; LIXNI1-XO; LITHIUM}
}

@ARTICLE{90MaJhxx.CaO,
  author = {Mandal, T K and Jha, B L},
  title = {{VIBRATIONAL TRANSITION MOMENTS, OSCILLATOR-STRENGTHS AND BAND STRENGTHS
	OF SOME DIATOMIC-MOLECULES}},
  journal = {Acta Phys. Pol. A},
  year = {1990},
  volume = {78},
  pages = {677-683},
  keywords = {Ab inito}
}

@ARTICLE{82Maxxxx.CaO,
  author = {Marks, R F},
  title = {{CORRECTION}},
  journal = JCP,
  year = {1982},
  volume = {77},
  pages = {4795},
  doi = {10.1063/1.444463},
  keywords = {Experiment}
}

@ARTICLE{82MaGoFi.CaO,
  author = {Marks, R F and Gottscho, R A and Field, R W},
  title = {{THE CAO D,D 1.3-DELTA-A3-PI-SYSTEM - SUB-DOPPLER SPECTRUM, ROTATIONAL
	ANALYSIS, AND DEPERTURBATION}},
  journal = PS,
  year = {1982},
  volume = {25},
  pages = {312-328},
  doi = {10.1088/0031-8949/25/2/010},
  keywords = {Experiment}
}

@ARTICLE{82MaScGo.CaO,
  author = {Marks, R F and Schweda, H S and Gottscho, R A and Field, R W},
  title = {{THE ORANGE ARC BANDS OF CAO - ANALYSIS OF A D,D DELTA-(1,3)-A P1-3
	SYSTEM}},
  journal = JCP,
  year = {1982},
  volume = {76},
  pages = {4689-4691},
  doi = {10.1063/1.442784},
  keywords = {Experiment}
}

@ARTICLE{88MeCoKr.CaO,
  author = {Mehl, M J and Cohen, R E and Krakauer, H},
  title = {{LINEARIZED AUGMENTED PLANE-WAVE ELECTRONIC-STRUCTURE CALCULATIONS
	FOR MGO AND CAO}},
  journal = {J. Geophys. Res.-Solid},
  year = {1988},
  volume = {93},
  pages = {8009-8089},
  doi = {10.1029/JB093iB07p08009},
  keywords = {Ab inito}
}

@ARTICLE{80MuPrRa.CaO,
  author = {Murthy, N S and Prahllad, U D and Rao, T V R and Naidu, G T},
  title = {{RKRV POTENTIAL-ENERGY CURVE AND DISSOCIATION-ENERGY OF CAO}},
  journal = {Indian J. Pure Appl. Phys.},
  year = {1980},
  volume = {18},
  pages = {818-821},
  keywords = {Calculated},
}

@ARTICLE{83NaRaxx.CaO,
  author = {Naidu, G T and Rao, T V R},
  title = {{TAU-CENTROIDS AND FRANCK-CONDON FACTORS OF CAO MOLECULE}},
  journal = {Acta Phys. Pol. A},
  year = {1983},
  volume = {63},
  pages = {425-427},
  keywords = {Ab inito}
}

@ARTICLE{89NoCrSc.CaO,
  author = {Norman, J B and Cross, K J and Schweda, H S and Polak, M and Field,
	R W},
  title = {{THE CAO C3-SIGMA+-A3-PI-I (O,O) BAND - THE KEY TO THE ORANGE SYSTEM
	AND THE GLOBAL ELECTRONIC-STRUCTURE OF CAO}},
  journal = MP,
  year = {1989},
  volume = {66},
  pages = {235-268},
  doi = {10.1080/00268978900100121},
  keywords = {Experiment}
}

@ARTICLE{91PlNixx.CaO,
  author = {Plane, J M C and Nien, C F},
  title = {{MEASUREMENT OF THE AVERAGE EMISSION LIFETIMES OF THE A-SIGMA-1+-X-SIGMA-1+
	AND THE ORANGE ARC BANDS OF CAO}},
  journal = {J. Chem. Soc. Faraday Trans.},
  year = {1991},
  volume = {87},
  pages = {677-680},
  abstract = {A photolytic precursor of CaO was formed in the gas-phase by mixing
	excess Ca vapour with either N2O or O2 in a reactor at 810 K. The
	precursor was photolysed using an ArF excimer laser at 193.3 nm,
	resulting in strong orange emission between 590 and 630 nm, with
	a lifetime of 27.8 +/- 1.2 ns, and emission beyond 760 nm with a
	lifetime of 149 +/- 11 ns. The former emission is assigned to the
	orange arc bands of CaO, and the latter to the CaO(A 1-SIGMA-+ -X
	SIGMA-+, DELTA-v < 3) bands. Evidence is presented which suggests
	that the precursor may be the CaO dimer.},
  doi = {10.1039/ft9918700677},
  keywords = {Experiment},
  keywords-plus = {CHEMI-LUMINESCENCE; CROSS-SECTIONS; PHOTON YIELDS; N2O; CHEMILUMINESCENCE;
	ENERGY}
}

@ARTICLE{88PoFax1.CaO,
  author = {Polezzo, S and Fantucci, P},
  title = {{A REDUCED BASIS APPROACH TO VALENCE ONLY MOLECULAR CALCULATIONS
	- APPLICATIONS TO CAO AND SCO MOLECULES}},
  journal = THEOCHEM,
  year = {1988},
  volume = {166},
  pages = {199-208},
  doi = {10.1016/0166-1280(88)80437-8},
  keywords = {Ab inito}
}

@ARTICLE{88PoFaxx.CaO,
  author = {Polezzo, S and Fantucci, P},
  title = {{AN APPROXIMATE FROZEN CORE APPROACH TO VALENCE ONLY MOLECULAR CALCULATIONS}},
  journal = TCA,
  year = {1988},
  volume = {73},
  pages = {393-403},
  doi = {10.1007/BF00527743},
  keywords = {Ab inito}
}

@ARTICLE{67Scxxxx.CaO,
  author = {Schofiel, K},
  title = {{BOND DISSOCIATION ENERGIES OF GROUP 2A DIATOMIC OXIDES}},
  journal = {Chem. Rev.},
  year = {1967},
  volume = {67},
  pages = {707-715},
  doi = {10.1021/cr60250a006},
  keywords = {Ab initio}
}

@ARTICLE{93SoMiPa.CaO,
  author = {Sousa, C and Minerva, T and Pacchioni, G and Bagus, P S and Parmigiani,
	F},
  title = {{ELECTROSTATIC AND CHEMICAL BONDING CONTRIBUTIONS TO THE CATION CORE-LEVEL
	BINDING-ENERGY SHIFTS IN MGO, CAO, SRO, BAO - A CLUSTER MODEL STUDY}},
  journal = {J. Electron Spectrosc. Relat. Phenom.},
  year = {1993},
  volume = {63},
  pages = {189-205},
  abstract = {We have determined cluster model wavefunctions to identify the origin
	of the trend for the chemical shifts of the core level binding energies
	of alkaline-earth atoms in ionic oxides with respect to bulk metals.
	We have identified two initial state effects, both electrostatic
	in nature, which fully determine the trend. The first one is the
	increase in the core level binding energies of the dication compared
	to the neutral metal atom; the second is the decrease of the dication
	binding energies induced by the Madelung potential of the ionic crystal.
	The sum of these two cancelling contributions reproduces the observed
	trend in chemical shifts from MgO to BaO. Chemical bonding effects,
	in particular the covalent interaction between the unoccupied d-levels
	of the dications and the oxygen anions, do not contribute in a significant
	way to the trend.},
  doi = {10.1016/0368-2048(93)87003-I},
  keywords = {Ab inito},
  keywords-plus = {X-RAY PHOTOELECTRON; OXIDES; SURFACE; PHOTOEMISSION; SPECTROSCOPY;
	SPECTRA; METAL}
}

@ARTICLE{76Srxxxx.CaO,
  author = {Srivastava, R D},
  title = {{DISSOCIATION-ENERGIES OF ALKALINE-EARTH MONOXIDES}},
  journal = {High Temp. Sci.},
  year = {1976},
  volume = {8},
  pages = {225-232},
  keywords = {Experiment}
}

@ARTICLE{80SvKuK1.CaO,
  author = {Svyatkin, I A and Kuznetsova, L A and Kuzyakov, Y Y},
  title = {{DETERMINATION OF THE BETA-1PI-CHI-1-SIGMA AND CHI-1SIGMA ELECTRONIC-TRANSITIONS
	STRENGTHS OF CAO}},
  journal = JQSRT,
  year = {1980},
  volume = {24},
  pages = {25-28},
  doi = {10.1016/0022-4073(80)90037-0},
  keywords = {Experiment}
}

@ARTICLE{80SvKuKu.CaO,
  author = {Svyatkin, I A and Kuznetsova, L A and Kuzyakov, Y Y},
  title = {{DETERMINATION OF THE B-1-PI-CHI-1-SIGMA AND C-1-SIGMA-CHI-1-SIGMA
	ELECTRONIC-TRANSITIONS STRENGTHS OF CAO}},
  journal = JQSRT,
  year = {1980},
  volume = {23},
  pages = {307-310},
  doi = {10.1016/0022-4073(80)90107-7},
  keywords = {Experiment}
}

@ARTICLE{90VaLeHe.CaO,
  author = {Vayrynen, I J and Leiro, J A and Heinonen, M H},
  title = {{AUGER-ELECTRON SPECTRA OF CA METAL AND CAO}},
  journal = {J. Electron Spectrosc. Relat. Phenom.},
  year = {1990},
  volume = {51},
  pages = {555-564},
  doi = {10.1016/0368-2048(90)80180-I},
  keywords = {Experiment}
}

@ARTICLE{74VoKoSo.CaO,
  author = {Volynets, G A and Kovaleno, G V and Sokolov, V A},
  title = {{ROTATION STRUCTURE OF BAND 5472 DIVIDED BY 5463 A OF CALCIUM-OXIDE}},
  journal = {Opt. Spektrosk.},
  year = {1974},
  volume = {36},
  pages = {1034-1036},
  keywords = {Experiment}
}

@ARTICLE{75VoKox1.CaO,
  author = {Volynets, G A and Kovalenok, G V},
  title = {{CERTAIN PROPERTIES OF CAO MOLECULE}},
  journal = {Izv. Vuz. Fiz.+},
  year = {1975},
  volume = {18},
  pages = {1204-1205},
  doi = {10.1007/BF01110062},
  keywords = {Ab inito}
}

@ARTICLE{75VoKoxx.CaO,
  author = {Volynets, G A and Kovalenok, G V},
  title = {{ENERGY DIAGRAM OF CAO MOLECULE}},
  journal = {Izv. Vuz. Fiz.+},
  year = {1975},
  pages = {120-121},
  doi = {10.1007/BF01110044},
  keywords = {Ab inito}
}

@ARTICLE{00WeVaKi.CaO,
  author = {Wesolowski, S S and Valeev, E F and King, R A and Baranovski, V and
	Schaefer, H F},
  title = {{The not-so-peculiar case of calcium oxide: a weakness in atomic
	natural orbital basis sets for calcium}},
  journal = MP,
  year = {2000},
  volume = {98},
  pages = {1227-1231},
  abstract = {Atomic natural orbital (ANO) basis sets for calcium may produce surprisingly
	poor atomic and molecular properties and energetics. The weaknesses
	in these basis sets may be traced primarily to deficiencies within
	the sets of d functions which are incapable of effectively correlating
	the 3s and 3p electrons. Examples are given which show that addition
	of tight d functions to the ANO basis is required to achieve qualitatively
	correct energetics and structures for conventionally bonded calcium
	compounds.},
  doi = {10.1080/00268970050080582},
  keywords = {Ab inito},
  keywords-plus = {GAUSSIAN-BASIS SETS; CORE-VALENCE CORRELATION; AB-INITIO; CLUSTER;
	ENERGY; EXTENSION; FORMALISM; ABINITIO; STATES; CAO}
}

@ARTICLE{68Yoxxxx.CaO,
  author = {Yoshimin, M},
  title = {{COMPUTED GROUND STATE PROPERTIES OF BEO MGO CAO AND SRO IN MOLECULAR
	OBITAL APPROXOXIMATION}},
  journal = {J. Phys. Soc. Jpn.},
  year = {1968},
  volume = {25},
  pages = {1100-1119},
  doi = {10.1143/JPSJ.25.1100},
  keywords = {Ab initio}
}


@article{ 11GuCaEr.CaO,
Author = {Guenther, E. W. and Cabrera, J. and Erikson, A. and Fridlund, M. and
   Lammer, H. and Mura, A. and Rauer, H. and Schneider, J. and Tulej, M.
   and von Paris, Ph. and Wurz, P.},
Title = {{Constraints on the exosphere of CoRoT-7b}},
Journal = AA,
Year = {{2011}},
Volume = {{525}},
Abstract = {{Context. The small radius and high density of CoRoT-7b implies that this
   transiting planet belongs to a different species than all transiting
   planets previously found. Current models suggest that this is the first
   transiting rocky planet found outside the solar system. Given that the
   planet orbits a solar-like star at a distance of only 4.5 R-{*}, it is
   expected that material released from its surface may then form an
   exosphere.
   Aims. We constrain the properties of the exosphere by observing the
   planet in-and out-of-transit. Detecting the exosphere of CoRoT-7b would
   for the first time allow us to study the material originating in the
   surface of a rocky extrasolar planet. We scan the entire optical
   spectrum for any lines originating from the planet, focusing
   particularly on spectral lines such as those detected in Mercury and Io
   in our solar system.
   Methods. Since lines originating in the exosphere are expected to be
   narrow, we observed CoRoT-7b at high resolution with UVES on the VLT. By
   subtracting the two spectra from each other, we search for emission and
   absorption lines originating in the exosphere of CoRoT-7b.
   Results. In the first step, we focus on Ca I, Ca II, and Na, because
   these lines have been detected in Mercury. Since the signal-to-noise
   ratio (S/N) of the spectra is as high as 300, we derive firm upper
   limits for the flux-range between 1.6 x 10(-18) and 3.2 x 10(-18) W
   m(-2). For CaO, we find an upper limit of 10(-17) W m(-2). We also
   search for emission lines originating in the plasma torus fed by
   volcanic activity and derive upper limits for these lines. In the whole
   spectrum we finally try to identify other lines originating in the
   planet.
   Conclusions. Except for CaO, the upper limits derived correspond to 2-6
   x 10(-6) L-{*}, demonstrating the capability of UVES to detect very weak
   lines. Our observations certainly exclude the extreme interpretations of
   data for CoRoT-7b, such as an exosphere that emits 2000 times as
   brightly as Mercury.}},
DOI = {{10.1051/0004-6361/201014868}},
pages = {A24}}


@article{ 98SaWhKa.CaO,
Author = {Sakamoto, S and White, G J and Kawaguchi, K and Ohishi, M and Usuda, K S
   and Hasegawa, T},
Title = {{A search for absorption of Mg and Ca compounds in molecular clouds
   towards Galactic continuum sources}},
Journal = MNRAS,
Year = {{1998}},
Volume = {{301}},
Pages = {872-880},
Abstract = {{Absorption lines of MgH and CaH N = 1 - 0 transitions were searched For
   in foreground molecular clouds towards the continuum sources associated
   with Sgr B2 (M) and W49A (N). None of these Lines was detected with our
   sensitivity level of similar to 20 mK, Millimetric absorption lines of
   MgO, MgOH, CaO and CaOH were also searched for towards Sgr B2 (M)
   without success. The fractional abundances relative to molecular
   hydrogen are less than or similar to 1.0 x 10(-11) for MgH, less than or
   similar to 7.9 x 10(-13) for MgO, less than or similar to 1.6 x 10(-10)
   for MgOH, less than or similar to 1.6 x 10(-9) for CaH, less than or
   similar to 2.0 x 10(-12) for CaO, and less than or similar to 2.5 x
   10(-10) for CaOH, respectively. The low abundances measured in
   absorption indicate that a significant fraction of interstellar
   magnesium and calcium cannot be tied up in their monohydrides, monoxides
   and monohydroxides. The law abundance of MgH also implies that
   grain-surface chemistry involving magnesium is not efficient and that
   magnesium is depleted on to grains to a factor of greater than or
   similar to 10(2.5) in well-shielded molecular clouds.}},
DOI = {{10.1046/j.1365-8711.1998.02080.x}}
}

@article{ 03IrOrMa.CaO,
Author = {Iron, M A and Oren, M and Martin, J M L},
Title = {Alkali and alkaline earth metal compounds: core-valence basis sets and
   importance of subvalence correlation},
Journal = MP,
Year = {2003},
Volume = {101},
Number = {9},
Pages = {1345-1361},
Month = {MAY},
Abstract = {Core-valence basis sets for the alkali and alkaline earth metals Li, Be,
   Na, Mg, K, and Ca are proposed. The basis sets are validated by
   calculating spectroscopic constants of a variety of diatomic molecules
   involving these elements. Neglect of (3s, 3p) correlation in K and Ca
   compounds will lead to erratic results at best, and chemically
   nonsensical ones if chalcogens or halogens are present. The addition of
   low-exponent p functions to the K and Ca basis sets is essential for the
   smooth convergence of molecular properties. Inclusion of inner-shell
   correlation is important for accurate spectroscopic constants and
   binding energies of all the compounds. In basis set
   extrapolation/convergence calculations, the explicit inclusion of alkali
   and alkaline earth metal subvalence correlation at all steps is
   essential for K and Ca, strongly recommended for Na, and optional for Li
   and Mg, while in Be compounds an additive treatment in a separate `core
   correlation' step is probably sufficient. Consideration of (1s)
   inner-shell correlation energy in first-row elements requires the
   inclusion of (2s, 2p) `deep core' correlation energy in K and Ca for
   consistency. The latter requires special CCVnZ `deep core correlation'
   basis sets. For compounds involving Ca bound to electronegative
   elements, additional d functions in the basis set are strongly
   recommended. For optimal basis set convergence in such cases, we suggest
   the sequence CV(D + 3d)Z, CV(T + 2d)Z, CV(Q + d)Z, and CV5Z on calcium.},
DOI = {10.1080/0026897031000094498},
Keywords-Plus = {GAUSSIAN-BASIS SETS; INFRARED-EMISSION SPECTRUM; LASER-INDUCED
   FLUORESCENCE; INITIO POTENTIAL CURVES; CONSISTENT BASIS-SETS; 2ND ROW
   ATOMS; AB-INITIO; MOLECULAR CALCULATIONS; WAVE-FUNCTIONS; POLARIZATION
   POTENTIALS},
ResearcherID-Numbers = {Martin, Jan/A-7457-2008},
ORCID-Numbers = {Martin, Jan/0000-0002-0005-5074},
Journal-ISO = {Mol. Phys.},
Unique-ID = {ISI:000184006500015},
}


@article{ 81IrDaxx.CaO,
Author = {Irvin, J A and Dagdigian, P J},
Title = {A STUDY OF THE REACTIONS CA(1S,3P0, AND 1D)+N2O UNDER SINGLE-COLLISION
   CONDITIONS AND AT HIGHER PRESSURES - CHEMI-LUMINESCENCE CROSS-SECTIONS,
   PHOTON YIELDS, AND COLLISIONAL ENERGY-TRANSFER IN CAO-STAR BY N2O},
Journal = JCP,
Year = {1981},
Volume = {74},
Number = {11},
Pages = {6178-6187},
DOI = {10.1063/1.441008},
Journal-ISO = {J. Chem. Phys.},
Unique-ID = {ISI:A1981LS13800034},
}

@article{ 80IrDaxx.CaO,
Author = {Irvin, J A and Dagdigian, P J},
Title = {CHEMI-LUMINESCENCE FROM THE CA(4S3D1D)+O2 REACTION - ABSOLUTE
   CROSS-SECTIONS, PHOTON YIELD, AND CAO DISSOCIATION-ENERGY},
Journal = JCP,
Year = {1980},
Volume = {73},
Number = {1},
Pages = {176-182},
DOI = {10.1063/1.439911},
Journal-ISO = {J. Chem. Phys.},
Unique-ID = {
ISI:A1980KB12700026},
}

@article{ 57HuLaxx.CaO,
Author = {Huldt, L and Lagerqvist, A},
Title = {ZUM URSPRUNG DER BANDENSPEKTREN VON CALCIUM UND STRONTIUM},
Journal = {ARKIV FOR FYSIK},
Year = {1957},
Volume = {11},
Number = {4},
Pages = {347-356},
Unique-ID = {ISI:A1957XE54300004},
}


@article{ 55HuLaxx.CaO,
Author = {Huldt, L and Lagerqvist, A},
Title = {TERMSCHEMATA VON CAO, SRO UND BAO},
Journal = {ARKIV FOR FYSIK},
Year = {1955},
Volume = {9},
Number = {3},
Pages = {227},
Unique-ID = {ISI:A1955XE49500002},
}

@article{ 50HuLaxxi.CaO,
Author = {Hultin, M and Lagerqvist, A},
Title = {AN INFRA-RED BAND-SYSTEM OF CALCIUM OXIDE},
Journal = {Nature},
Year = {1950},
Volume = {166},
Number = {4213},
Pages = {190-191},
DOI = {10.1038/166190a0},
Journal-ISO = {Nature},
Unique-ID = {ISI:A1950UA21200022},
}


@article{ 50HuLaxx.CaO,
Author = {Hultin, M and Lagerqvist, A},
Title = {AN INFRA-RED BAND-SYSTEM OF CALCIUM OXIDE},
Journal = {Ark. Fys.},
Year = {1950},
Volume = {166},
Number = {4213},
Pages = {190-191},
keywords = {Experiment}
}


@article{ 32Brxxxx.CaO,
Author = {Brodersen, P-H.},
Title = {A band system of CaO in near infrared.},
Year = {1932},
Volume = {79},
Number = {9-10},
Pages = {613-625},
Month = {SEP},
DOI = {10.1007/BF01330513},
Journal = {Z. Phys.},
Unique-ID = {ISI:000207432200007},
keywords = {Experiment}
}



@ARTICLE{11Le.CaO,
  author = {Leonard, C},
  title = {{Ab initio study of the low-lying electronic states of the CaO molecule}},
}

@misc{12Lexxxx.CaO,
   author   = {Leonard, C},
   Year = {2012},
   howpublished  = {private communication}
}


@article{ 16YuBlAs.CaO,
author = {Yurchenko, Sergei N. and Blissett, Audra and Asari, Usama and Vasilios, Marcus and Hill, Christian and Tennyson, Jonathan}, 
title = {ExoMol molecular line lists – XIII. The spectrum of CaO},
volume = {456}, 
number = {4}, 
pages = {4524-4532}, 
year = {2016}, 
doi = {10.1093/mnras/stv2858}, 
abstract ={An accurate line list for calcium oxide is presented covering transitions between all bound ro-vibronic levels from the five lowest electronic states X 1 Sigma+, A 1Pi, A 1Sigma+, a 3Pi, and b 3Sigma+. The ro-vibronic energies and corresponding wavefunctions were obtained by solving the fully coupled Schrödinger equation. Ab initio potential energy, spin-orbit, and electronic angular momentum curves were refined by fitting to the experimental frequencies and experimentally derived energies available in the literature. Using our refined model we could (1) reassign the vibronic states for a large portion of the experimentally derived energies (van Groenendael A., Tudorie M., Focsa C., Pinchemel B., Bernath P. F., 2005, J. Mol. Spectrosc., 234, 255), (2) extended this list of energies to J = 61–118 and (3) suggest a new description of the resonances from the A 1Sigma+-X 1Sigma+ system. We used high level ab initio electric dipole moments reported previously (Khalil H., Brites V., Le Quere F., Leonard C., 2011, Chem. Phys., 386, 50) to compute the Einstein A coefficients. Our work is the first fully coupled description of this system. Our line list is the most complete catalogue of spectroscopic transitions available for 40Ca16O and is applicable for temperatures up to at least 5000 K. CaO has yet to be observed astronomically but its transitions are characterized by being particularly strong which should facilitate its detection. The CaO line list is made available in an electronic form as supplementary data to this article and at www.exomol.com.}, 
journal = MNRAS 
}


@article{ 16StMiSu.CaO,
title = {Near {UV} bands of jet-cooled CaO },
journal = JMS,
volume = {322},
pages = {18 - 21},
year = {2016},
doi = {http://dx.doi.org/10.1016/j.jms.2016.02.009},
author = {Jacob T. Stewart and Michael N. Sullivan and Michael C. Heaven},
keywords = {Calcium oxide},
keywords = {Electronic spectroscopy},
keywords = {Perturbations },
abstract = {Abstract The electronic spectrum of CaO has been recorded for the 29,800–33,150 cm-1 energy range. Jet cooling was used to obtain relatively uncongested spectra. Rotationally resolved bands have been assigned to the 
 transitions. These data extend the range of vibronic levels characterized for the upper states. Three additional vibronic states were observed as a short progression. One of these levels, which are of 0+ symmetry, interacts strongly with the 
v = 7 level. Possible assignments for the perturbing state are considered. }
}