Perturbation theory of the electron correlation effects for atomic and molecular properties. VI. Complete active space (CAS) SCF and MBPT calculations of electric properties of the FH molecule

Chemical Physics

Volumn 77, Issue 1, 1983, Pages 93-101

  Diercksen, Geerd H F ^a   Kellö, Vladimir ^a   Roos, Björn O ^b   Sadlei, Andrzej J ^b  

^a Werner Heisenberg Institut für Physik   (Germany)

^b LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0344139691     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(83)85067-8     Document Type: Article

References (74)

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3. PNO-CI and PNO-CEPA studies of electron correlation effects
4. Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms
5. Second-order correlation correction to the coupled Hartree-Fock polarizability of Be
6. Static dipole polarizability of the fluoride ion
7. Molecular Applications of Coupled Cluster and Many-Body Perturbation Methods
8. Scaling, Padé approximants and variation principles in the many-body perturbation theory of atomic and molecular properties
9. Perturbation theory of the electron correlation effects for atomic and molecular properties IV. Dipole polarizability of the fluoride ion
10. Corrections to molecular one-electron properties using møller-plesset perturbation theory
11. A CASSCF study of the potential curves for the X 1Σ+, B 1Σ+, and A 1Π states of the BH molecule
12. Ground-state dipole polarizability of lithium hydride. Accurate SCF and CAS SCF calculations
13. Complete active space (CAS) SCF study of the dipole polarizability function for the X 1Σ+ state of LiH
14. Finite-field MC SCF study of the hydrogen molecule polarizability
15. Analytic techniques for the coupled multiconfigurationSCF perturbation theory
16. MCSCF calculations of the properties of hydrogen fluoride
17. Ab initio calculations
18. Formal theory of effective ?-electron hamiltonians
19. Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem
20. The fourth order diagrammatic MB-RSPT calculations of the correlation energy of ten electron systems
21. Fourth-order diagrammaticMB-RSPT calculations of the correlation energy: N2, CO, F2 and the reaction energy of the process �F2 + �H2 = HF
22. Comments on the exclusion-principle-violating diagrams cancellation in correlations energy calculation by many-body Rayleigh-Schr�dinger perturbation theory
23. First-order properties and the Hellmann-Feynman theorem in the case of a limitedCI wave function
24. Configuration interaction calculations on the nitrogen molecule
25. Correlation energies for AHnmolecules and cations
26. Modern theoretical chemistry