Revisiting the use of explicitly correlated geminals in coupled pair calculations: New perspectives and a proposal

Molecular Physics

Volumn 103, Issue 15-16, 2005, Pages 2009-2017

  Monkhorst, Hendrik J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFERENTIAL EQUATIONS; NUMERICAL ANALYSIS; OPTIMIZATION; PARAMETER ESTIMATION; PERTURBATION TECHNIQUES; ROBUSTNESS (CONTROL SYSTEMS);

COUPLED-PAIR LEVELS; ELECTRON PAIR FUNCTIONS; VARIATIONAL FUNCTIONS;

ELECTRONS;

EID: 27844521975     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970500151494     Document Type: Article

References (34)

1. F. Coester. Nucl. Phys., 7, 421 (1958).
2. F. Coester, H. Kümmel, Nucl. Phys., 17, 477 (1960).
3. J. Cižek. J. chem. Phys., 45, 4256 (1966);
4. Adv. Chem. Phys., 14, 35 (1969).
5. R.J. Bartlett. Coupled Cluster Theory: an Overview of Recent Developments. In Modern Electronic Structure Theory, D.R. Yarkony (Ed.), pp. 1047-1131, World Scientific Publishing Co. Ltd., Singapore.
6. H.J. Monkhorst. Int. J. quantum Chem., S11, 421 (1977).
7. H. Sekino, R.J. Bartlett. Int. J. quantum Chem., S18, 255 (1984).
8. C. Schwartz. Phys. Rev., 126, 1015 (1962).
9. R.N. Hill. J. chem. Phys., 83, 1173 (1985).
10. W. Kutzelnigg, J.D. Morgan III. J. chem. Phys. 96, 4484 (1992).
11. J. Rychlewski (Ed.). Explicitly Correlated Wave Functions in Chemistry and Physics, Progress in Theoretical Chemistry and Physics, Vol 13, Kluwer Academic Publishers, Dordrecht/Boston/London (2003).
12. K. Szalewicz, B. Jeziorski, H.J. Monkhorst, J. Zabolitzky. Chem. Phys. Letters, 91, 169 (1982).
13. K. Szalewicz, B. Jeziorski, H.J. Monkhorst, J. Zabolitzky. J. chem. Phys., 78, 1420 (1983).
14. K. Szalewicz, B. Jeziorski, H.J. Monkhorst, J. Zabolitzky. J. chem. Phys., 79, 5543 (1983).
15. B. Jeziorski, H.J. Monkhorst, K. Szalewicz, J. Zabolitzky. Coupled cluster Approach with Explicitly Correlated Cluster Functions. In Recent Progress in Many-Body Theories, Proceedings, 279, H. Kümmel and M.L. Ristig (Eds), Springer, Berlin (1983).
16. B. Jeziorski, H.J. Monkhorst, K. Szalewicz, J. Zabolitzky. J. chem. Phys., 81, 368 (1984).
17. K. Szalewicz, J. Zabolitzky, B. Jeziorski, H.J. Monkhorst. J. chem. Phys., 81, 2723 (1984).
18. K.B. Wenzel, J. Zabolitzky, K. Szalewicz, B. Jeziorski, H.J. Monkhorst. J. chem. Phys., 85, 3964 (1986).
19. R. Bukowski, B. Jeziorski, K. Szalewicz. J. chem. Phys., 110, 4165 (1999).
20. W. Cencek, M. Jeziorska, R. Bukowski, M. Jaszunski, B. Jeziorski, K. Szalewicz. J. phys. Chem. A 108, 3211 (2004).
21. R. Bukowski, B. Jeziorski, K. Szalewicz. J. chem. Phys., 100, 1366 (1994).
22. R. Bukowski, S. Rybak, B. Jeziorski, K. Szalewicz. J. chem. Phys., 102, 888 (1995).
23. O. Sinanoglu. J. chem. Phys. 36, 3198 (1962).
24. S. Alexander, H.J. Monkhorst, K. Szalewicz. J. chem. Phys., 85, 5821 (1986).
25. S. Alexander, H.J. Monkhorst, K. Szalewicz. J. chem. Phys., 87, 3976 (1987).
26. S. Alexander, H.J. Monkhorst, K. Szalewicz. J. chem. Phys., 89, 3976 (1988).
27. K. Ruedenberg, R.C. Raffenetti, R.D. Bardo. In Energy, Structure and Reactivity, D.W. Smith, W.B. McRae, (Eds), Wiley, New York, 164 (1973).
28. M.W. Schmidt, K. Ruedenberg. J. chem. Phys. 71, 3951 (1979).
29. I. Lindgren, S. Salomonson. Phys. Scr., 21, 335 (1980).
30. T. Kato. Pure Appl. Math., 10, 151 (1957).
31. R.T. Pack, W. Byers Brown. J. chem. Phys. 45, 556 (1966).
32. W. Kutzelnigg. Chapter 1 in Ref [8] (2003).
33. C.L. Davis, H.-J. Aa. Jensen, H.J. Monkhorst. J. chem. Phys., 80, 840 (1984).
34. H.J. Monkhorst. (2004), unpublished.