Atomic configuration interaction and studies of He, Li, Be, and Ne ground states

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 56, Issue 4, 1997, Pages 2614-2623

  Jitrik, Oliverio ^a   Bunge, Carlos F ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000589486     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.56.2614     Document Type: Article

References (82)

1. R. Jáuregui, C. F. Bunge, and E. Ley-Koo, Phys. Rev. A 55, 1781 (1997).PLRAAN
2. E. A. Hylleraas, Z. Phys. 48, 469 (1928).ZEPYAA
3. H. F. Schaefer, The Electronic Structure of Atoms and Molecules (Addison-Wesley, Reading, MA, 1972).
4. F. Sasaki and M. Yoshimine, Phys. Rev. A 9, 17 (1974).PLRAAN
5. A. W. Weiss, Phys. Rev. 162, 71 (1967); PHRVAO
6. Phys. Rev. A 51, 1067 (1995).PLRAAN
7. A. Bunge, J. Chem. Phys. 53, 20 (1970).JCPSA6
8. P.-O. Löwdin, Phys. Rev. 97, 1489 (1955).PHRVAO
9. C. F. Bunge, Phys. Rev. A 14, 1965 (1976).PLRAAN
10. I. Shavitt, in Modern Theoretical Chemistry, edited by H. F. Schaefer III (Plenum, New York, 1977), Vol. 3, pp. 189–275.
11. C. Schwartz, Phys. Rev. 126, 1015 (1962); PHRVAO
12. R. N. Hill, J. Chem. Phys. 83, 1173 (1985); JCPSA6
13. W. Kutzelnigg and J. D. Morgan, 96, 4484 (1992).
14. C. F. Bunge, Theor. Chim. Acta 16, 126 (1970); TCHAAM
15. A. Bunge and C. F. Bunge, Phys. Rev. A 1, 1599 (1970).PLRAAN
16. D. P. Carroll, H. J. Silverstone, and R. M. Metzger, J. Chem. Phys. 71, 4142 (1979).JCPSA6
17. E. R. Davidson, J. Comput. Phys. 15, 87 (1975).JCTPAH
18. P. Jönsson and C. F. Fischer, Phys. Rev. A 48, 4113 (1993).PLRAAN
19. C. F. Fischer and K. M. S. Saxena, Phys. Rev. A 9, 1498 (1974).PLRAAN
20. C. F. Fischer, The Numerical Hartree-Fock Method (Wiley, New York, 1977).
21. K. T. Chung, Phys. Rev. A 44, 5421 (1991).PLRAAN
22. Z.-W. Wang, X.-W. Zhu, and K. T. Chung, Phys. Rev. A 46, 6914 (1992).PLRAAN
23. K. T. Chung, X.-W. Zhu, and Z.-W. Wang, Phys. Rev. A 47, 1740 (1993).PLRAAN
24. T. Noro, K. Ohtsuki, and F. Sasaki, Int. J. Quantum Chem. 51, 225 (1994).IJQCB2
25. U. Fano and G. Racah, Irreducible Tensorial Sets (Academic, New York, 1959).
26. F. Sasaki, Int. J. Quantum Chem. 8, 605 (1974).IJQCB2
27. F. Sasaki et al, in Modern Techniques in Computational Chemistry: MOTECC-90, edited by E. Clementi (Escom, Leiden, 1990), pp. 181–234.
28. C. F. Fischer, in Methods and Techniques in Computational Chemistry: METECC-94, edited by E. Clementi (STEF, Cagliari, 1993), Vol. A, p. 221.
29. E. U. Condon and G. H. Shortley, The Theory of Atomic Spectra (Cambridge University Press, Cambridge, 1935).
30. N. M. Gray and L. A. Wills, Phys. Rev. 38, 248 (1931).PHRVAO
31. P.-O. Löwdin, Phys. Rev. 97, 1509 (1955); PHRVAO
32. Adv. Phys. 5, 1 (1956).ADPHAH
33. P.-O. Löwdin, Rev. Mod. Phys. 34, 520 (1962).RMPHAT
34. P.-O. Löwdin, Rev. Mod. Phys. 36, 966 (1964).RMPHAT
35. C. F. Bunge and A. Bunge, Int. J. Quantum Chem. 7, 927 (1973).IJQCB2
36. A. D. McLean and B. Liu, J. Chem. Phys. 58, 1066 (1973).JCPSA6
37. A. V. Bunge et al, Comput. Chem. 13, 201 (1989);
38. A. V. Bunge et al, Comput. Chem. 13, 222 (1989);
39. A. V. Bunge et al, Comput. Chem. 13, 239 (1989).
40. B. Liu and M. Yoshimine, J. Chem. Phys. 74, 612 (1981).JCPSA6
41. K. G. Dyall et al., Comput. Phys. Commun. 55, 425 (1989); CPHCBZ
42. I. P. Grant et al., 21, 207 (1980).
43. C. F. Fischer, Comput. Phys. Commun. 64, 369 (1991); CPHCBZ
44. L. Sturesson and C. F. Fischer, 74, 432 (1993).
45. C. F. Bunge, subroutine autopt may be obtained from directory pub/programs/atmol via anonymous ftp 132.248.7.41.
46. C. F. Fischer, Phys. Rev. A 41, 3481 (1990).PLRAAN
47. A. Rizzo, E. Clementi, and M. Sekiya, Chem. Phys. Lett. 177, 477 (1991).CHPLBC
48. A.-M. Martensson, J. Phys. B 12, 3995 (1979).JPAMA4
49. S. A. Blundell, W. R. Johnson, Z. W. Liu, and J. Sapirstein, Phys. Rev. A 39, 3768 (1989).PLRAAN
50. S. Salomonson and P. Öster, Phys. Rev. A 40, 5548 (1989).PLRAAN
51. G. W. F. Drake and Z.-C. Yan, Phys. Rev. A 46, 2378 (1992); PLRAAN
52. Chem. Phys. Lett. 229, 486 (1994).CHPLBC
53. Z.-C. Yan and G. W. F. Drake, Phys. Rev. A 52, 3711 (1995).PLRAAN
54. C. F. Bunge, Phys. Rev. 168, 92 (1968).PHRVAO
55. C. F. Fischer, J. Comput. Phys. 13, 502 (1973).JCTPAH
56. C. F. Fischer and W. Guo, J. Comput. Phys. 90, 486 (1990).JCTPAH
57. O. Jitrik and C. F. Bunge, Phys. Rev. A 43, 5804 (1991).PLRAAN
58. C. F. Fischer, J. Phys. B 26, 855 (1993).JPAPEH
59. S. P. Goldman, Phys. Rev. Lett. 73, 2547 (1995).PRLTAO
60. S. Larsson, Phys. Rev. 169, 49 (1968).PHRVAO
61. M. Tong, P. Jönsson, and C. F. Fischer, Phys. Scr. 48, 446 (1993).PHSTBO
62. D. Chandler, Simplex Algorithm, Program No. 66, Quantum Chemistry Program Exchange, Indiana University, Bloomington, Indiana, 1966.
63. R. J. Buenker and S. D. Peyerimhoff, Theor. Chim. Acta 35, 33 (1974).TCHAAM
64. E. R. Davidson, in Modern Techniques in Computational Chemistry: MOTECC-90 (Ref. 23), pp. 553–592.
65. E. R. Davidson, Reduced Density Matrices in Quantum Chemistry (Academic, New York, 1976).
66. J. D. Watts and R. J. Bartlett, Int. J. Quantum Chem. S28, 195 (1994).IJQCB2
67. C. F. Bunge, At. Data Nucl. Data Tables 16, 293 (1976).ADNDAT
68. J. Olsen and D. Sundholm (unpublished), quoted in Ref. 61.
69. E. Lindroth et al., Phys. Rev. A 45, 1493 (1992).PLRAAN
70. A.-M. Martensson-Pendrill et al., Phys. Rev. A 43, 3355 (1991).PLRAAN
71. S. J. Chakravorty et al., Phys. Rev. A 47, 3649 (1993).PLRAAN
72. C. W. Bauschlicher et al., Chem. Phys. Lett. 126, 436 (1986).CHPLBC
73. P. E. M. Siegbahn, Chem. Phys. Lett. 50, 386 (1978).CHPLBC
74. S. Prime, C. Rees, and M. Robb, Mol. Phys. 44, 173 (1981).MOPHAM
75. R. E. Brown, Ph.D. thesis, Department of Chemistry, Indiana University, 1968.
76. T. Lee, N. C. Dutta, and T. P. Das, Phys. Rev. A 4, 1410 (1971).PLRAAN
77. K. Jankowski, D. Rutkowska, and A. Rutkowski, Phys. Rev. A 26, 2378 (1982).PLRAAN
78. I. Lindgren, in Recent Progress in Many-Body Theories, edited by T. L. Ainsworth et al (Plenum, New York, 1992), pp. 245–276.
79. I. P. Grant, Comput. Phys. Commun. 84, 59 (1994).CPHCBZ
80. W. Eissner, M. Jones, and H. Nussbaumer, Comput. Phys. Commun. 8, 270 (1974).CPHCBZ
81. M. J. Ten-Hoor, Int. J. Quantum Chem. 2, 109 (1968).IJQCB2
82. T. Kato, Commun. Pure Appl. Math. 10, 151 (1957). CPAMAT