Developments in the n-electron valence state perturbation theory

International Journal of Quantum Chemistry

Volumn 106, Issue 3, 2006, Pages 686-691

  Angeli, Celestino ^a   Borini, Stefano ^a   Cavallini, Alex ^a   Cestari, Mirko ^a   Cimiraglia, Renzo ^a   Ferrighi, Lara ^a   Sparta, Manuel ^a  

^a UNIVERSITY OF FERRARA   (Italy)

Author keywords

Formaldehyde; Multireference perturbation CI; NEVPT; Quasi degenerate PT; Valence rydberg mixing

Indexed keywords

FORMALDEHYDE; PERTURBATION TECHNIQUES; THEOREM PROVING;

MULTIREFERENCE PERTURBATION CI; NEVPT; QUASI-DEGENERATE PT; VALENCE/ RYDBERG MIXING;

ELECTRONS;

EID: 33645294353     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20831     Document Type: Conference Paper

References (22)

1. Angeli, C.; Cimiraglia, R.; Evangelisti, S.; Leininger, T.; Malrieu, J.-P. J Chem Phys 2001, 114, 10252.
2. Angeli, C.; Cimiraglia, R.; Malrieu, J.-P. J Chem Phys 2002, 117, 9138.
3. Angeli, C.; Cimiraglia, R.; Malrieu, J.-P. Chem Phys Lett 2001, 350, 297.
4. Angeli, C.; Borini, S.; Cimiraglia, R. Theor Chem Acc 2004, 111, 352.
5. Havenith, R. W. A.; Taylor, P. R.; Angeli, C.; Cimiraglia, R.; Ruud, K. J Chem Phys 2004, 120, 4619.
6. Angeli, C.; Borini, S.; Cestari, M.; Cimiraglia, R. J Chem Phys 2004, 121, 40432.
7. Shavitt, I. Int J Mol Sci 2002, 3, 639.
8. Bloch, C. Nucl Phys 1958, 6, 329.
9. Brandow, B. H. Rev Mod Phys 1967, 39, 771.
10. Lindgren, I. J Phys B: Atom Mol Phys 1974, 7, 2441.
11. Daudey, J.-P.; Malrieu, J.-P. In Current Aspects of Quantum Chemistry; Carbó, R., Ed.; Elsevier: Amsterdam, the Netherlands, 1982; p 35.
12. Finley, J.; Malmqvist, P.; Roos, B. O.; Serrano-Andrés, L. Chem Phys Lett 1998, 288, 299.
13. Tokmachev, A. M.; Tchougréeff, A. L.; Misurkin, I. A. Int J Quantum Chem 2001, 84, 99.
14. Soudackov, A. V.; Tchougréeff, A. L.; Misurkin, I. A. Theor Chim Acta 1992, 83, 389.
15. Dyall, K. G. J Chem Phys 1995, 102, 4909.
16. Roos, B. O. In Lawley, K. P., Ed.; Advances in Chemical Physics; Ab Initio Methods in Quantum Chemistry; Vol. II; Wiley: Chichester, UK, 1987; p 399.
17. Zaitsevskii, A.; Malrieu, J.-P. Chem Phys Lett 1995, 223, 597.
18. Widmark, P. O.; Malmqvist, P.-A.; Roos, B. O. Theor Chim Acta 1990, 77, 291.
19. Roos, B. O.; Fülsher, M. P.; Malmqvist, P.-A.; Merchán, M.; Serrano-Andrés, L. In Langhoff, S. R., Ed.; Quantum Mechanical Electronic Structure Calculation with Chemical Accuracy; Kluwer Academic: Amsterdam, the Netherlands, 1995; p 357.
20. Andersson, K.; Barysz, M.; Bernhardsson, A.; Blomberg, M. R. A.; Cooper, D. L.; Fülscher, M. P.; de Graaf, C; Hess, B. A.; Karlström, G.; Lindh, R.; Malmqvist, P.-A.; Nakajima, T.; Neogrády, P.; Olsen, J.; Roos, B. O.; Schimmelpfennig, B.; Schütz, M.; Seijo, L.; Serrano-Andrés, L.; Siegbahn, P. E. M.; Stålring, J.; Thorsteinsson, T.; Veryazov, V.; Widmark, P.-O. MOLCAS Version 5.4; Lund University: Sweden, 2002.
21. Spiegelmann, F.; Malrieu, J.-P. J Phys B 1984, 17, 1235.
22. Spiegelmann, F.; Malrieu, J.-P. J Phys B 1984, 17, 1259.