Size-nonextensive contributions in singles-only CI

Structural Chemistry

Volumn 15, Issue 5, 2004, Pages 379-384

  Zaleśny, Robert ^a   Sadlej, Andrzej J ^a   Leszczynski, Jerzy ^b  

^a NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^b JACKSON STATE UNIVERSITY   (United States)

Author keywords

CIS; configuration interaction method; coupled cluster method; Size extensivity

Indexed keywords

ARTICLE; CALCULATION; ELECTROCHEMISTRY; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; MOLECULAR SIZE; PARTICULATE MATTER; STRUCTURE ANALYSIS;

EID: 4444255890     PISSN: 10400400     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:STUC.0000037893.74876.a6     Document Type: Article

References (23)

1. Roos, B. O.; Andersson, K.; Fülscher, M. P.; Malmqvist, P.-Å.; Serrano-Andrés, L. In Advances in Chemical Physics; Prigogine, I.; Rice, S. A., Eds. Wiley: New York, 1996; Vol. XCIII, pp. 219-331.
2. Bartlett, R. J. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: River Edge, NJ, 1995; Part 2, pp. 1047-1131.
3. Foresman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. J. Phys. Chem.; 1992, 96, pp. 135-149.
4. Zerner, M. C.; Loew, G. H.; Kirchner, R. F.; Mueller-Westerhoff, U. T. J. Am. Chem. Soc. 1980, 102, 589-599.
5. Lipiński, J. Int. J. Quantum Chem. 1988, 34, 423-435.
6. Zerner, M. C. In Reviews in Computational Chemistry, Lipkovitz K. B.; Boyd, D. B., Eds.; VCH: New York, 1991, Vol. 2, pp. 313-365.
7. Langhoff, S. R.; Davidson, E. R. Int. J. Quantum Chem. 1974, 8, 61-72.
8. Davidson, E. R. In The World of Quantum Chemistry; Daudel, R.; Pullman, B., Eds.; Reidel: Dordrecht, 1974, pp. 17-30.
9. Davidson, E. R.; Silver, D. W. Chem. Phys. Lett. 1977, 52, 403-406.
10. Pople, J. A.; Seeger, R.; Krishnan, R. Int. J. Quantum Chem., Quantum Chem. Symp. 1977, 11, 149-163.
11. Bartlett R. J.; Shavitt, I. Chem. Phys. Lett. 1977, 50, 190-198.
12. Szabo, A.; Ostlund, N. S. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory; MacMillan: New York, 1982.
13. Siegbahn, P. E. M. Chem. Phys. Lett. 1978, 55, 386-394.
14. Paldus, J.; Čižek, J. Adv. Quantum Chem. 1975, 9, 105-197.
15. Goldstone, J. Proc. R. Soc. (Lond.) 1957, A239, 267-279.
16. Harris, F. E.; Monkhorst, H. J.; Freeman, D. L. Algebraic and Diagrammatic Methods in Many - Fermion Theory; Oxford University Press, Oxford: 1992.
17. Christiansen, O.; Koch, H.; Jørgensen, P. Chem. Phys. Lett. 1995, 243, 409-418.
18. Meissner, L. Chem. Phys. Lett. 1996, 263, 351-359.
19. Zaleśny, R.; Sadlej, A. J.; Leszczynski, J. Unpublished results.
20. Andersson, K.; Malmqvist, P.-Å.; Roos, B. O.; Sadlej, A. J.; Woliński, K. J. Phys. Chem. 1990, 94, 5483-5488.
21. Andersson, K.; Malmqvist, P.-Å.; Roos, B. O. J. Chem. Phys. 1992, 96, 1218-1226.
22. Lipiński, J. Chem. Phys. Lett. 2002, 363, 313-318.
23. Diercksen, G. H. F.; Kraemer, W. P.; Sadlej, A. J. Chem. Phys. Lett. 1981, 117-121.