Spin-contamination of coupled-cluster wave functions

Journal of Chemical Physics

Volumn 113, Issue 15, 2000, Pages 6052-6062

  Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001084868     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (12)

1. D. R. Hartree, Proc. Cambridge Philos. Soc. 24, 328 (1928).
2. V. A. Fock, Z. Phys. 15, 126 (1930).
3. H. Fukutome, Int. J. Quantum Chem. 20, 955 (1981).
4. P.-O. Löwdin, Rev. Mod. Phys. 35, 496 (1963).
5. M. M. Mestechkin, Rasshirennyi metod Khartri-Foka i ego primenenie k molekulam (Kiev, Naukova Dumka, 1983).
6. M. M. Mestechkin, Nestabilnost' uravnenii Khartree-Foka i ustoichivost' molekul (Kiev, Naukova Dumka, 1986).
7. J.-L. Calais, Adv. Quantum Chem. 17, 225 (1985).
8. P.-O. Löwdin and I. Mayer, Adv. Quantum Chem. 24, 79 (1992).
9. P.-O. Löwdin and I. Mayer, Chem. Phys. Lett. 202, 1 (1993).
10. J. Paldus, "Hartree - Fock stability and symmetry breaking," in Self-Consistent Field: Theory and Applications, edited by R. Carbó and M. Klobukowski, Vol. 70 (Elsevier, New York, 1990), pp. 1-45.
11. D. B. Cook, "The symmetry properties of the Hartree - Fock model: Some "experimental" results," in Self-Consistent Field: Theory and Applications, edited by R. Carbó and M. Klobukowski, Vol. 70 (Elsevier, New York, 1990), pp. 45-79.
12. J. A. Pople and R. K. Nesbet, J. Chem. Phys. 22, 571 (1954).