Relativistic self-consistent-field atomic calculations using a generalization of Brillouin's theorem

Canadian Journal of Physics

Volumn 76, Issue 6, 1998, Pages 421-444

  Bunge, Carlos F ^a   Jáuregui, Rocio ^a   Ley Koo, Eugenio ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001547815     PISSN: 00084204     EISSN: None     Source Type: Journal    
DOI: 10.1139/cjp-76-6-421     Document Type: Article

References (69)

1. I.P. Grant. Adv. Phys. 19, 747 (1970).
2. Y.-K. Kim. Phys. Rev. 154, 17 (1967).
3. J.P. Desclaux. Comp. Phys. Commun. 9, 31 (1975).
4. I.P. Grant, B.J. McKenzie, P.H. Norrington, D.F. Mayers, and N.C. Pyper. Comput. Phys. Commun. 21, 207 (1980).
5. T. Kagawa. Phys. Rev. A: Gen. Phys. 12, 2245 (1975).
6. T. Kagawa. Phys. Rev. A: Gen. Phys. 22, 2340 (1980).
7. W.H.E. Schwarz and E. Wechsel-Trakowski. Chem. Phys. Lett. 85, 94 (1982).
8. W. Kutzelnigg. Int. J. Quant. Chem. 25, 107 (1984).
9. S.P. Goldman. Phys. Rev. A: Gen. Phys. 31, 3541 (1985).
10. S.P. Goldman and A. Dalgarno. Phys. Rev. Lett. 57, 408 (1986).
11. A.K. Mohanty and E. Clementi. Chem. Phys. Lett. 157, 348 (1989).
12. K. Koc and Y. Ishikawa. Phys. Rev. A, 49, 794 (1994).
13. L. Brillouin. J. Phys. 3, 373 (1932).
14. C.F. Fischer. The numerical Hartree-Fock method. Wiley, New York. 1977.
15. R. Jáuregui, C.F. Bunge, and E. Ley-Koo. Phys. Rev. A, 55, 1781 (1997).
16. R. Jáuregui, C.F. Bunge, and E. Ley-Koo. Rev. Mex. Fis. 43, 673 (1997); Adv. Appl. Clifford Algeb. 7(S), 79 (1997); Proc. 3rd. UNAM-Cray Conference on Applications of Supercomputers. Edited by M.A. Castro, G. Cisneros, and J.A. Cogordan. World Scientific, Singapore. 1997. pp. 133-145.
17. R. Jáuregui, C.F. Bunge, and E. Ley-Koo. Rev. Mex. Fis. 43, 673 (1997); Adv. Appl. Clifford Algeb. 7(S), 79 (1997); Proc. 3rd. UNAM-Cray Conference on Applications of Supercomputers. Edited by M.A. Castro, G. Cisneros, and J.A. Cogordan. World Scientific, Singapore. 1997. pp. 133-145.
18. R. Jáuregui, C.F. Bunge, and E. Ley-Koo. Rev. Mex. Fis. 43, 673 (1997); Adv. Appl. Clifford Algeb. 7(S), 79 (1997); Proc. 3rd. UNAM-Cray Conference on Applications of Supercomputers. Edited by M.A. Castro, G. Cisneros, and J.A. Cogordan. World Scientific, Singapore. 1997. pp. 133-145.
19. G.E. Brown and D.G. Ravenhall. Proc. R. Soc. London A, 208, 552 (1951).
20. M.H. Mittleman. Phys. Rev. A: Gen. Phys. 24, 1167 (1981).
21. M.H. Mittleman. Phys. Rev. A: Gen. Phys. 4, 893 (1971); 15, 2395 (1972).
22. M.H. Mittleman. Phys. Rev. A: Gen. Phys. 4, 893 (1971); 15, 2395 (1972).
23. E. Lindroth, J.-L. Heully, I. Lindgren, and A. M. Martensson-Pendrill. J. Phys. B: At. Mol. Phys. 20, 1679 (1987).
24. A.V. Bunge, C.F. Bunge, R. Jáuregui, and G. Cisneros. Comp. Chem. 13, 201 (1989); R. Jáuregui, C.F. Bunge, A.V. Bunge, and G. Cisneros. Comp. Chem. 13, 223 (1989); A.V. Bunge, C.F. Bunge, R. Jáuregui, and G. Cisneros. Comp. Chem. 13, 239 (1989).
25. A.V. Bunge, C.F. Bunge, R. Jáuregui, and G. Cisneros. Comp. Chem. 13, 201 (1989); R. Jáuregui, C.F. Bunge, A.V. Bunge, and G. Cisneros. Comp. Chem. 13, 223 (1989); A.V. Bunge, C.F. Bunge, R. Jáuregui, and G. Cisneros. Comp. Chem. 13, 239 (1989).
26. A.V. Bunge, C.F. Bunge, R. Jáuregui, and G. Cisneros. Comp. Chem. 13, 201 (1989); R. Jáuregui, C.F. Bunge, A.V. Bunge, and G. Cisneros. Comp. Chem. 13, 223 (1989); A.V. Bunge, C.F. Bunge, R. Jáuregui, and G. Cisneros. Comp. Chem. 13, 239 (1989).
27. Y.S. Lee and A.D. McLean. J. Chem. Phys. 76, 735 (1982).
28. Y. Ishikawa, R.C. Binning, and K.M. Sando. Chem. Phys. Lett. 101, 111 (1983).
29. R.E. Stanton and S. Havriliak. J. Chem. Phys. 81, 1910 (1984).
30. J. Sucher. Phys. Rev. A: Gen. Phys. 22, 348 (1980).
31. J. Sucher. Phys. Rev. Lett. 55, 1033 (1985).
32. J. Sucher. AIP Conf. Proc. 136, 1 (1985).
33. P. Indelicato and J.P. Desclaux. Phys. Scr. T46, 110 (1993).
34. S.P. Goldman. Phys. Rev. A: Gen. Phys. 37, 16 (1988).
35. G.W.F. Drake and S.P. Goldman. Phys. Rev. A: Gen. Phys. 23, 2093 (1981).
36. K.G. Dyall, I.P. Grant, and S. Wilson. J. Phys. B: At. Mol. Phys. 17, 493 (1984).
37. Y. Ishikawa, R. Baretty, and K.M. Sando. Chem. Phys. Lett. 117, 444 (1985).
38. I.P. Grant and H.M. Quiney. Adv. At. Mol. Phys. 23, 37 (1988).
39. G.W.F. Drake and S.P. Goldman. Adv. At. Mol. Phys. 23, 393 (1988).
40. R. Jáuregui, C.F. Bunge, and E. Ley-Koo. Preprint IFUNAM FT96-01.
41. J.K.L. McDonald. Phys. Rev. 43, 830 (1933).
42. A. Bunge. J. Chem. Phys. 53, 20 (1970).
43. W. Brenig. Nucl. Phys. 4, 363 (1957).
44. B. Levy and G. Berthier. Int. J. Quantum Chem. 2, 307 (1968).
45. N.J. Kylstra. J. Phys. B: At. Mol. Opt. Phys. 27, 5815 (1994).
46. E.A. Hylleraas and B. Undheim. Z. Phys. 65, 759 (1930); J.K.L. McDonald. Phys. Rev. 43, 830 (1933).
47. E.A. Hylleraas and B. Undheim. Z. Phys. 65, 759 (1930); J.K.L. McDonald. Phys. Rev. 43, 830 (1933).
48. L. Schäfer and H.A. Weidenmüller. Nucl. Phys. A174, 1 (1971).
49. I. Lindgren, J. Lindgren, and A.-M. Martensson. Z. Phys. A: At. Nucl. 279, 113 (1976).
50. K. Ruedenberg, L.M. Cheung, and S.T. Elbert. Int. J. Quantum Chem. 16, 1069 (1979).
51. J.D. Watts and R.J. Bartlett. Int. J. Quantum Chem. S28, 195 (1994).
52. I. Shavitt. In Modern theoretical chemistry. Vol. 3. Edited by H.F. Schaefer III. Plenum, New York. 1977. pp. 189-275.
53. J.P. Desclaux. At. Data Nucl. Data Tables, 12, 311 (1973).
54. C.C.J. Roothaan. Rev. Mod. Phys. 23, 69 (1951); 32, 179 (1960).
55. C.C.J. Roothaan. Rev. Mod. Phys. 23, 69 (1951); 32, 179 (1960).
56. J. Wang, V.H. Smith, C.F. Bunge, and R. Jáuregui. Acta Cryst. A, 52, 649 (1996).
57. D. Rez, P. Rez, and I.P. Grant. Acta Cryst. A, 50, 481 (1994).
58. C.F. Bunge, J.A. Barrientos, A.V. Bunge, and J.A. Cogordan. Phys. Rev. A, 46, 3691 (1992).
59. C.F. Bunge, J.A. Barrientos, and A.V. Bunge. At. Data Nucl. Data Tables, 53, 113 (1993).
60. O. Jitrik and C.F. Bunge. Phys. Rev. A, 55, 2614 (1997).
61. H.M. Quiney, I.P. Grant, and S. Wilson. J. Phys. B: At. Mol. Opt. Phys. 22, L15 (1989).
62. T.A. Koopmans. Physica, 1, 104 (1933).
63. A.V. Bunge and C.F. Bunge. Comput. Chem. 10, 259 (1986).
64. W.R. Johnson, J. Sapirstein, and K.T. Cheng. Phys. Rev. A, 51, 297 (1995).
65. R.C. Raffenetti. J. Chem. Phys. 59, 5936 (1973); D.F. Feller and K. Ruedenberg. Theor. Chim. Acta, 52, 231 (1979); M.W. Schmidt and K. Ruedenberg. J. Chem. Phys. 71, 3951 (1979).
66. R.C. Raffenetti. J. Chem. Phys. 59, 5936 (1973); D.F. Feller and K. Ruedenberg. Theor. Chim. Acta, 52, 231 (1979); M.W. Schmidt and K. Ruedenberg. J. Chem. Phys. 71, 3951 (1979).
67. R.C. Raffenetti. J. Chem. Phys. 59, 5936 (1973); D.F. Feller and K. Ruedenberg. Theor. Chim. Acta, 52, 231 (1979); M.W. Schmidt and K. Ruedenberg. J. Chem. Phys. 71, 3951 (1979).
68. P.-O. Löwdin. Phys. Rev. 97, 1509 (1955); Adv. Phys. 5, 1 (1956).
69. P.-O. Löwdin. Phys. Rev. 97, 1509 (1955); Adv. Phys. 5, 1 (1956).