Many-body-perturbation-theory calculations of the microwave and vibrational constants of CaC
- 1 October 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 46 (7) , 4415-4417
- https://doi.org/10.1103/physreva.46.4415
Abstract
We use fourth-order many-body perturbation theory to calculate the rotational and vibrational constants of CaC. These spectroscopic constants should be useful in the possible laboratory or astronomical observation of this metal carbide.Keywords
This publication has 12 references indexed in Scilit:
- Theoretical determination of the spectroscopic constants of the MgC moleculeThe Astrophysical Journal, 1991
- Laser vaporization generation of Al12C, Al13C, Al12C2, and Al13C2 for rare gas matrix electron spin resonance studies: Experimental–theoretical comparisonsThe Journal of Chemical Physics, 1990
- Astonomical and laboratory detection of the SiC radicalThe Astrophysical Journal, 1989
- The computed spectrum of AlCThe Journal of Chemical Physics, 1988
- Theoretical Predictions and Experimental Detection of the SiC MoleculePhysical Review Letters, 1988
- Comparison of MBPT and coupled-cluster methods with full CI. Importance of triplet excitation and infinite summationsChemical Physics Letters, 1983
- Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in MoleculesAnnual Review of Physical Chemistry, 1981
- HNC Molecule in Interstellar Space? Some Pertinent Theoretical CalculationsThe Astrophysical Journal, 1973
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row AtomsThe Journal of Chemical Physics, 1970