The MP2 limit correction applied to coupled cluster calculations of the electronic dissociation energies of the hydrogen fluoride and water dimers

Molecular Physics

Volumn 96, Issue 4, 1999, Pages 559-570

  Klopper, Wim ^a   Luthi, Hans P ^b  

^a UNIVERSITY OF OSLO   (Norway)

^b Centro Svizzero Di Calcolo Scientifico   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0343897781     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979909482993     Document Type: Article

References (89)

1. Liu, B., and McLean, A. D., 1973. J. chem. Phys., 59:4457
2. Liu, B., and McLean, A. D., 1980. J. chem. Phys., 72:3418
3. Lengsfield, B. H., III, McLean, A. D., Yoshimine, M., and Liu, B., 1983. J. chem. Phys., 79:1891
4. Liu, B., and McLean, A. D., 1989. J. chem. Phys., 91:2348
5. Partridge, H., Bauschlicher, C. W., Jr., Pettersson, L. G. M., McLean, A. D., Liu, B., Yoshimine, M., and Komornicki, A., 1990. J. chem. Phys., 92:5377
6. Kestner, N. R., 1968. J. chem. Phys., 48:252
7. Jansen, H. B., and Ros, P., 1969. Chem. Phys. Lett., 3:140
8. Boys, S. F., and Bernardi, F., 1970. Molec. Phys., 19:553
9. van Duijneveldt, F. B., van Duijneveldt-van de Rijdt, J.G. C. M., and van Lenthe, J. H., 1994. Chem. Rev., 94:1873
10. van Duijneveldt, F. B., 1997. Molecular Interactions—From van der Waals to Strongly Bound Complexes, New York:Wiley.
11. van Duijneveldt-van de Rijdt, J.G. C. M., and van Duijneveldt, F. B., 1997. Theoretical Treatments of Hydrogen Bonding, New York:Wiley.
12. Liedl, K. R., 1998. J. chem. Phys., 108:3199
13. Petersson, G. A., Bennett, A., Tensfeldt, T. G., Al-Laham, M. A., Shirley, W. A., and Mantzaris, J., 1988. J. chem. Phys., 89:2193
14. Dunning, T. H., Jr. 1989. J. chem. Phys., 90:1007
15. Curtiss, L. A., Jones, C., Trucks, G. W., Raghavachari, K., and Pople, J. A., 1990. J. chem. Phys., 93:2537
16. Curtiss, L. A., Raghavachari, K., Trucks, G. W., and Pople, J. A., 1991. J. chem. Phys., 94:7221
17. Feller, D., 1992. J. chem. Phys., 96:6104
18. Curtiss, L. A., Carpenter, J. E., Raghavachari, K., and Pople, J. A., 1992. J. chem. Phys., 96:9030
19. Curtiss, L. A., Raghavachari, K., and Pople, J. A., 1993. J. chem. Phys., 98:1293
20. Klopper, W., and Almlof, J., 1993. J. chem. Phys., 99:5167
21. Siegbahn, P. E. M., Blomberg, M. R. A., and Svensson, M., 1994. Chem. Phys. Lett., 223:35
22. Siegbahn, P. E. M., Svensson, M., and Boussard, P. J. E., 1995. J. chem. Phys., 102:5377
23. Peterson, K. A., and Dunning, T. H., Jr. 1995. J. phys. Chem., 99:3898
24. Peterson, K. A., and Dunning, T. H., Jr. 1995. J. chem. Phys., 102:2032
25. Raghavachari, K., and Curtiss, L. A., 1995. Modern Electronic Structure Theory, Part II, Singapore:World Scientific.
26. Ochterski, J. W., Petersson, G. A., and Wiberg, K. B., 1995. J. Amer. chem. Soc., 117:11299
27. Ochterski, J. W., Petersson, G. A., and Montgomery, J. A., Jr. 1996. J. chem. Phys., 104:2598
28. Moncrieff, D., and Wilson, S., 1996. J. Phys., 29:6009
29. Klopper, W., and Luthi, H. P., 1996. Chem. Phys. Lett., 262:546
30. Martin, J. M. L., 1996. Chem. Phys. Lett., 259:669
31. Martin, J. M. L., and Taylor, P. R., 1997. J. chem. Phys., 106:8620
32. Martin, J. M. L., 1997. Theoret. Chim. Acta, 97:227
33. Wilson, A. K., and Dunning, T. H., Jr. 1997. J. chem. Phys., 106:8718
34. Muller, H., Kutzerlnigg, W., and Noga, J., 1997. Molec. Phys., 92:535
35. Peterson, K. A., Wilson, A. K., Woon, D. E., and Dunning, T. H., Jr. 1997. Theoret. Chim. Acta, 97:251
36. Helgaker, T., Klopper, W., Koch, H., and Noga, J., 1997. J. chem. Phys., 106:9639
37. Mayer, P. M., Parkinson, C. J., Smith, D. M., and Radom, L., 1998. J. chem. Phys., 108:604
38. Curtiss, L. A., Raghavachari, K., Redfern, P. C., and Stefanov, B. B., 1998. J. chem. Phys., 108:692
39. Liedl, K. R., and Kroemer, R. T., 1998. J. Phys. Chem., 102:1832
40. Halkier, A., Helgaker, T., Jørgensen, P., Klopper, W., Koch, H., Olsen, J., and Wilson, A. K., 1998. Chem. Phys. Lett., 286:243
41. Csaszar, A. G., Allen, W. D., and Schaefer, H. H., III. 1998. J. chem. Phys., 108:9751
42. Kendall, R. A., Dunning, T. H., Jr. and Harrison, R. J., 1992. J. chem. Phys., 96:6796
43. Peterson, K. A., Woon, D. E., and Dunning, T.H., Jr. 1994. J. chem. Phys., 100:7410
44. Woon, D. E., and Dunning, T. H., Jr. 1995. J. chem. Phys., 103:4572
45. Wilson, A. K., van Mourik, T., and Dunning, T. H., Jr. 1997. J. Molec. Struct. Theochem, 388:339
46. van Mourik, T. and Dunning Jr., T. H.
47. Kutzelnigg, W., 1985. Theoret. Chim. Act, 68:445
48. Klopper, W., and Kutzelnigg, W., 1987. Chem. Phys. Lett., 134:17
49. Noga, J., and Kutzelnigg, W., 1994. J. chem. Phys., 101:7738
50. Noga, J., Klopper, W., and Kutzelnigg, W., 1997. Recent Advances in Coupled-Cluster Theory, Singapore:World Scientific.
51. Klopper, W., 1998. The Encyclopedia of Computational Chemistry, Chichester:Wiley.
52. Scheiner, S., 1994. Ann. Rev. phys. Chem., 45:23
53. Quack, M., and Suhm, M. A., 1996. Theoret. Chim. Acta, 93:61
54. Quack, M., and Suhm, M. A., 1997. Conceptual Perspectives in Quantum Chemistry, Dordrecht:Kluwer.
55. Maerker, C., Schleyer, P. v. R., Liedl, K. R., Ha, T. -K., Quack, M., and Suhm, M. A., 1997. J. comput. Chem., 18:1695
56. Xantheas, S. S., 1996. J. chem. Phys., 104:8821
57. Purvis, G. D., III and Bartlett, R. J., 1982. J. chem. Phys., 76
58. Raghavachari, K., Trucks, G. W., Pople, J. A., and Head-Gordon, M., 1989. Chem. Phys. Lett., 157:479
59. Klopper, W., 1995. J. chem. Phys., 102:6168
60. Klopper, W., Quack, M., and Suhm, M. A., 1996. Chem. Phys. Lett., 261:35
61. Klopper, W., Quack, M. and Suhm, M. A. (1998)
62. Klopper, W., Quack, M., and Suhm, M. A., 1998. J. chem. Phys., 108:10096
63. Halkier, A., Koch, H., Jørgensen, P., Christiansen, O., Beck Nielsen, I.M., and Helgaker, T., 1997. Theoret. Chim. Acta, 97:150
64. Klopper, W. (1991)
65. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Gill, P. M. W., Johnson, B. G., Robb, M. A., Cheeseman, J. R., Keith, T., Petersson, G. A., Montgomery, J. A., Raghavachari, K., Al-Laham, M. A., Zakrzewski, V. G., Ortiz, J. V., Foresman, J. B., Cioslowski, J., Stefanov, B. B., Nanayakkara, A., Challacombe, M., Peng, C. Y., Ayala, P. Y., Chen, W., Wong, M. W., Andres, J. L., Replogle, E. S., Gomperts, R., Martin, R. L., Fox, D. J., Binkely, J. S., Defrees, D. J., Baker, J., Stewart, J. P., Head-Gordon, M., Gonzalez, C., and Pople, J. A., 1995. Gaussian 94, Revision E.2, Pittsburgh, PA:Gaussian, Inc.
66. Andersen, T., Helgaker, T. and Klopper, W.
67. Niesar, U., Corongiu, G., Huang, M. J., Dupuis, M., and Clementi, E., 1989. Intl. J. Quantum Chem. Symp., 23:421
68. Schutz, M., Brdarski, S., Widmark, P. -O., Lindh, R., and Kartlstrom, G., 1997. J. chem. Phys., 107:4597
69. Collins, C. L., Morihashi, K., Yamaguchi, Y., and Schaefer, H. F., III. 1995. J. chem. Phys., 103:6051
70. Tschumper, G. S., Yamaguchi, Y., and Schaefer, H. F., III. 1997. J. chem. Phys., 106:9627
71. Tschumper, G. S., Kelty, M. D. and Schaefer III, H. F.
72. Racine, S. C., and Davidson, E. R., 1993. J. phys. Chem., 97:6367
73. Frisch, M. J., Del Bene, J.E., Binkeley, J. S., and Schaefer, H. F., III. 1986. J. chem. Phys., 84:2279
74. Szszęśniak, M. M., and Scheiner, S., 1986. J. chem. Phys., 84:6328
75. Szalewicz, K., Cole, S. J., Kołos, W., and Bartlett, R. J., 1988. J. chem. Phys., 89:3662
76. Vos, R. J., Hendriks, R., and van Duijneveldt, F. B., 1990. J. comput. Chem., 11:1
77. Smith, B. J., Swanton, D. J., People, J. A., Schaefer, H. F., III and Radom, L., 1990. J. chem. Phys., 92:1240
78. Rybak, S., Jeziorski, B., and Szalewicz, K., 1991. J. chem. Phys., 95:6576
79. van Duijneveldt-van de Rijdt, J.G. C. M., and van Duihneveldt, F. B., 1992. J. chem. Phys., 97:5019
80. Kim, K. S., Mhin, J. M., Choi, U. -S., and Lee, K., 1992. J. chem. Phys., 97:6649
81. Sæbø, S., Tong, W., and Pulay, P., 1993. J. chem. Phys., 98:2170
82. Chakravorty, S. J., and Davidson, E. R., 1993. J. phys. Chem., 97:6373
83. Xantheas, S. S., and Dunning, T. H., Jr. 1993. J. chem. Phys., 99:8774
84. Wang, Y. -B., Tao, F. -M., and Pan, Y. -K., 1994. J. molec. Struct. Theochem, 309:235
85. Klopper, W., Schutz, M., Luthi, H. P., and Leutwyler, S., 1995. J. chem. Phys., 103:1085
86. Klopper, W., and Schutz, M., 1995. Ber. Bunsenges. phys. Chem., 99:469
87. Reyereisen, M. W., Feller, D., and Dixon, D. A., 1996. J. phys. Chem., 100:2993
88. Novoa, J. J., Planas, M., and Rovira, M. C., 1996. Chem. Phys. Lett., 251:33
89. Mas, E. M., and Szalewicz, K., 1996. J. chem. Phys., 104:7606