Superposition of nonorthogonal Slater determinants towards electron correlation problems

Theoretical Chemistry Accounts

Volumn 98, Issue 4, 1997, Pages 182-191

  Ten No, Seiichiro ^a,b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b INSTITUTE OF MATHEMATICS   (Czech Republic)

Author keywords

Bracket transformation; Coupled cluster theory; Nonorthogonal Slater determinants; Orbital relaxation; Similarity transformation

Indexed keywords

EID: 0031565078     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050291     Document Type: Article

References (54)

1. Roos BO (1987) In: Lawley KP (ed) Ab initio methods in quantum chemistry II. Advances in chemical physics 69. Wiley, New York, pp 399
2. Cizek J (1966) J Chem Phys 45:4151; (1969) Adv Chem Phys 14:35
3. Cizek J (1966) J Chem Phys 45:4151; (1969) Adv Chem Phys 14:35
4. Barlett RJ (1995) In: Yarkony DR (ed) Modern electronic structure theory, vol 2. World Scientific, Singapore, pp 1047 and references therein
5. Brandow B (1967) Rev Mod Phys 39:771; (1977) Adv Quantum Chem 10:187
6. Brandow B (1967) Rev Mod Phys 39:771; (1977) Adv Quantum Chem 10:187
7. Mukherjee D, Moitra RK, Mukhopadhyay A (1975) Mol Phys 30:1961; (1977) Mol Phys 33:955;
8. Mukherjee D, Moitra RK, Mukhopadhyay A (1975) Mol Phys 30:1961; (1977) Mol Phys 33:955;
9. Haque M, Mukherjee D (1984) J Chem Phys 80:5058
10. Lindgren I (1978) Int J Quantum Chem Symp 12:33
11. Jeziorski B, Monkhorst HJ (1981) Phys Rev A24:1668
12. Mukherjee D, Pal S (1989) Adv Quantum Chem 20:291
13. Mukherjee D (1986) Chem Phys Lett 125:207; (1986) Int J Quantum Chem Symp 20:409
14. Mukherjee D (1986) Chem Phys Lett 125:207; (1986) Int J Quantum Chem Symp 20:409
15. Meissner L, Kucharski SA, Bartlett RJ (1989) J Chem Phys 91:6187; Meissner L, Bartlett RJ (1990) J Chem Phys 92:561
16. Meissner L, Kucharski SA, Bartlett RJ (1989) J Chem Phys 91:6187; Meissner L, Bartlett RJ (1990) J Chem Phys 92:561
17. Andersson K, Malmqvist P-Å, Roos BO, Sadlej AJ, Wolinski K (1990) J Phys Chem 94:5483; Andersson K, Malmqvist P-Å, Roos BO (1992) J Chem Phys 96:1218
18. Andersson K, Malmqvist P-Å, Roos BO, Sadlej AJ, Wolinski K (1990) J Phys Chem 94:5483; Andersson K, Malmqvist P-Å, Roos BO (1992) J Chem Phys 96:1218
19. Hirao K (1992) Chem Phys Lett 190:374; (1992) Chem Phys Lett 196:397
20. Hirao K (1992) Chem Phys Lett 190:374; (1992) Chem Phys Lett 196:397
21. Nakano H (1993) J Chem Phys 99:7983; (1993) Chem Phys Lett 207:372
22. Nakano H (1993) J Chem Phys 99:7983; (1993) Chem Phys Lett 207:372
23. Kozlowski PM, Davisdon ER (1994) Chem Phys Lett 222:615
24. Heully JL, Malrieu J-P, Zaitsevskii A (1996) J Chem Phys 105:6887
25. Mukhopadhyay D, Datta B, Mukherjee D (1992) Chem Phys Lett 197:236; Datta B, Mukherjee D (1995) Chem Phys Lett 235:31
26. Mukhopadhyay D, Datta B, Mukherjee D (1992) Chem Phys Lett 197:236; Datta B, Mukherjee D (1995) Chem Phys Lett 235:31
27. Fukutome H (1988) Prog Theor Phys 80:611; Tomita N, Ten-no S, Tanimura Y (1996) Chem Phys Lett 263:687
28. Fukutome H (1988) Prog Theor Phys 80:611; Tomita N, Ten-no S, Tanimura Y (1996) Chem Phys Lett 263:687
29. Clark T (1988) J Am Chem Soc 110:1672; Ghailane R, Lepetit M-B, Malrieu J-P (1993) J Phys Chem 97:94; Hiberty PC, Humbel S, Archirel P (1994) J Phys Chem 98:11697
30. Clark T (1988) J Am Chem Soc 110:1672; Ghailane R, Lepetit M-B, Malrieu J-P (1993) J Phys Chem 97:94; Hiberty PC, Humbel S, Archirel P (1994) J Phys Chem 98:11697
31. Clark T (1988) J Am Chem Soc 110:1672; Ghailane R, Lepetit M-B, Malrieu J-P (1993) J Phys Chem 97:94; Hiberty PC, Humbel S, Archirel P (1994) J Phys Chem 98:11697
32. Löwdin PO (1955) Phys Rev 97:1474
33. Pauncz R (1995) The symmetric group in quantum chemistry. CRC Press, Boca Raton
34. Hinze J (ed) (1981) The unitary group for the evaluation of electronic energy matrix elements. Springer, Berlin Heidelberg New York
35. King HF, Stanton RE, Kim J, Wyatt RE, Parr RG (1967) J Chem Phys 47:1936; Lengsfield BH III, Jafri JA, Phillips DH, Bauschlicher CW Jr (1981) J Chem Phys 74:6849
36. King HF, Stanton RE, Kim J, Wyatt RE, Parr RG (1967) J Chem Phys 47:1936; Lengsfield BH III, Jafri JA, Phillips DH, Bauschlicher CW Jr (1981) J Chem Phys 74:6849
37. Koch H, Christiansen O, Kobayashi R, Jørgensen P, Helgaker T (1994) Chem Phys Lett 30:233; Koch H, Sánchez de Merás A, Helgaker T, Christiansen O (1996) J Chem Phys 104:4157
38. Koch H, Christiansen O, Kobayashi R, Jørgensen P, Helgaker T (1994) Chem Phys Lett 30:233; Koch H, Sánchez de Merás A, Helgaker T, Christiansen O (1996) J Chem Phys 104:4157
39. Paldus J, Cizek J (1975) Adv Quantum Chem 9:105; Lindgren I, Morrison J (1986) Atomic many-body theory, 2nd edn. Springer, Berlin Heidelberg New York
40. Paldus J, Cizek J (1975) Adv Quantum Chem 9:105; Lindgren I, Morrison J (1986) Atomic many-body theory, 2nd edn. Springer, Berlin Heidelberg New York
41. Davidson ER (1975) J Comp Phys 17:87
42. Silverstone H, Sinanogolu O (1966) J Chem Phys 44:1899, 3608
43. Hose G, Kaldor U (1979) J Phys B12:3827
44. Laidig WD, Bartlett RJ (1984) Chem Phys Lett 104:424
45. Meller J, Malrieu J-P, Caballol R (1996) J Chem Phys 104:4068
46. Mahapatra US, Datta B, Bandyopadhyay B, Mukherjee D, Adv Quantum Chem (in press)
47. Bacskay GB (1981) Chem Phys 61:385
48. Laidig WD, Saxe P, Bartlett RJ (1987) J Chem Phys 86:887
49. Dunning TH Jr, Hay PJ (1977) In: Schaefer HF III (ed) Methods of electronic structure theory. Plenum, New York, pp
50. Huzinaga S, Andzelm J, Klobukowski M, Radzio-Andzelm E, Sakai Y, Tatewaki H (1984) Gaussian basis sets for molecular calculations. Elsevier, Amsterdam. This set is used for the isolated He atoms in this work
51. Langhoff SR, Davidson ER (1974) Int J Quantum Chem 8:61
52. Werner HJ, Knowles PJ (1988) J Chem Phys 89:5803
53. Raghavachari K, Trucks GW, Pople JA, Head-Gordon M (1989) Chem Phys Lett 157:479; Raghavachari K, Pople JA, Head-Gordon M (1989) In: Kaldor U (ed) Many-body methods in quantum chemistry. Springer, Berlin Heidelberg New York, pp 215
54. Raghavachari K, Trucks GW, Pople JA, Head-Gordon M (1989) Chem Phys Lett 157:479; Raghavachari K, Pople JA, Head-Gordon M (1989) In: Kaldor U (ed) Many-body methods in quantum chemistry. Springer, Berlin Heidelberg New York, pp 215