Perturbation theory for excited states. IV
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Two of the perturbation methods developed in Paper I (CIPT and SCPT) are extended for use with uncoupled Hartree-Fock perturbation theory. Corrections to the uncoupled results are discussed and it is found that it is possible to correct using functions which when applied to ground state calculations are equivalent to the geometric approximation. It is also shown that CIPT and SCPT can be applied to ground state calculations and that when coupled perturbed orbitals are used CIPT and SCPT are equivalent to the usual coupled perturbation theory.
KeywordsPhysical Chemistry Inorganic Chemistry Organic Chemistry Excited State Perturbation Theory
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- 1.Dalgarno,A.: Proc. Royal Soc. (London) A 251, 282 (1959).Google Scholar
- 2.Tuan,D.Fu-Tai, Epstein, S., Hirschfelder, J.C.: J. chem. Physics 33, 65 (1966).Google Scholar
- 3.Musher,J.I.: J. chem. Physics 46, 369 (1967).Google Scholar
- 4.Amos,A.T., Musher,J.I.: Molecular Physics 13, 509 (1967).Google Scholar
- 5.—: Theoret. chim. Acta (Berl.) 22, 283 (1971), (Paper I).Google Scholar
- 6.- - Theoret. chim. Acta (Berl.); to be published, (Paper II).Google Scholar
- 7.- - To be published, (Paper III).Google Scholar
- 8.Tuan,D.Fu-Tai: Chem. Physics Letters 7, 115 (1970).Google Scholar
- 9.Amos,A.T.: J. chem. Physics 52, 603 (1970).Google Scholar
- 10.Mustier, J. I., Schulman,J.M.: J. chem. Physics 49, 4845 (1968).Google Scholar