Direct iterative solution of the generalized Bloch equation. III. Application to H2-cluster models

Journal of Chemical Physics

Volumn 113, Issue 7, 2000, Pages 2612-2621

  Meißner, Holger ^a   Paldus, Josef ^a,b  

^a UNIVERSITY OF WATERLOO   (Canada)

^b UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; CORRELATION METHODS; DISSOCIATION; HYDROGEN BONDS; ITERATIVE METHODS; MOLECULAR DYNAMICS;

BLOCH EQUATIONS; POST-HARTREE-FOCK METHODS; QUADRATIC ITERATIVE ALGORITHMS; STATE-SELECTIVE MULTICONFIGURATIONAL SINGLE-REFERENCE METHOD;

MOLECULAR PHYSICS;

EID: 0034248290     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1305322     Document Type: Article

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41. H. Meißner and J. Paldus, J. Chem. Phys. 113, 2594 (2000), preceding paper.
42. H. Meißner, Ph.D. thesis, Universität Regensburg, 1995. Compressed .dvi and .ps files can be obtained via URL: http://www.chemie.uni-regensburg.de/preprint.html.
43. H. Meißner and E. O. Steinborn, Int. J. Quantum Chem. 61, 777 (1997).
44. H. Meißner and E. O. Steinborn, Int. J. Quantum Chem. 63, 257 (1997).
45. H. Meißner and E. O. Steinborn, Phys. Rev. A 56, 1189 (1997).
46. H. Meißner and E. O. Steinborn, J. Mol. Struct.: THEOCHEM 433, 119 (1998).
47. C. Bloch, Nucl. Phys. 6, 239 (1958).
48. I. Lindgren and J. Morrison, Atomic Many-Body Theory, 2nd ed. (Springer Verlag, Berlin, 1986).
49. J. Paldus, in Relativistic and Electron Correlation Effects in Molecules and Solids, NATO Advanced Study Institute, Series B: Physics, edited by G. L. Malli (Plenum, New York, 1994), Vol. 318, p. 207.
50. K. Jankowski and J. Paldus, Int. J. Quantum Chem. 18, 1243 (1980).
51. X. Li and J. Paldus, J. Chem. Phys. 107, 6257 (1997).
52. J. Paldus, P. Piecuch, L. Pylypow, and B. Jeziorski, Phys. Rev. A 47, 2738 (1993);
53. P. Piecuch and J. Paldus, Phys. Rev. A ibid. 49, 3479 (1994).
54. K. Jankowski, L. Meissner, and J. Wasilewski, Int. J. Quantum Chem. 28, 931 (1985);
55. L. Meissner, K. Jankowski, and J. Wasilewski, Int. J. Quantum Chem. ibid. 34, 535 (1988).
56. K. Jankowski, J. Paldus, and J. Wasilewski, J. Chem. Phys. 95, 3549 (1991).
57. S. Wilson, K. Jankowski, and J. Paldus, Int. J. Quantum Chem. 23, 1781 (1983);
58. S. Wilson, K. Jankowski, and J. Paldus, Int. J. Quantum Chem. 28, 525 (1985).
59. N. Iijima and A. Saika, Int. J. Quantum Chem. 27, 481 (1985).
60. U. Kaldor, Int. J. Quantum Chem. 28, 103 (1985).
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62. S. Zarrabian and J. Paldus, Int. J. Quantum Chem. 38, 761 (1990).
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65. K. Jankowski, J. Gryniaków, and K. Rubiniec, Int. J. Quantum Chem. ibid. 67, 221 (1998);
66. K. Jankowski, L. Meissner, and K. Rubiniec, Int. J. Quantum Chem. ibid. 67, 239 (1998).
67. X. Li and J. Paldus, J. Chem. Phys. 103, 1024 (1995).
68. GAMESS, M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon, J. H. Jensen, S. Koseki, N. Matsunaga, K. A. Nguyen, S. J. Su, T. L. Windus, together with M. Dupuis and J. A. Montgomery, Jr., J. Comput. Chem. 14, 1347 (1993).
69. T. H. Dunning, Jr., J. Chem. Phys. 55, 716 (1971).
70. N. Oliphant and L. Adamowicz, J. Chem. Phys. 94, 1229 (1991);
71. P. Piecuch and L. Adamowicz, J. Chem. Phys. ibid. 100, 5857 (1994), and references therein.
72. P. Piecuch, S. A. Kucharski, and R. J. Bartlett, J. Chem. Phys. 110, 6103 (1999).
73. P. Piecuch and J. Paldus, J. Chem. Phys. 101, 5875 (1994).
74. U. S. Mahapatra, B. Datta, and D. Mukherjee, J. Chem. Phys. 110, 6171 (1999).
75. J. Paldus, P. Piecuch, B. Jeziorski, and L. Pylypow, in Recent Progress in Many-Body Theories, edited by T. L. Ainsworth et al. (Plenum, New York, 1992), Vol. 3, p. 287.
76. K. Jankowski, J. Paldus, I. Grabowski, and K. Kowalski, J. Chem. Phys. 97, 7600 (1992).
77. P. Piecuch, R. Tobola, and J. Paldus, Int. J. Quantum Chem. 55, 133 (1995);
78. Phys. Rev. A 54, 1210 (1996).
79. S. A. Kucharski, A. Balková, P. G. Szalay, and R. J. Bartlett, J. Chem. Phys. 97, 4289 (1992).
80. J. Paldus, L. Pylypow, and B. Jeziorski, in Many-Body Methods in Quantum Chemistry, Lecture Notes in Chemistry, edited by U. Kaldor (Springer-Verlag, Berlin, 1989), Vol. 52, p. 151.