Intermolecular potential of carbon dioxide dimer from symmetry-adapted perturbation theory

Journal of Chemical Physics

Volumn 110, Issue 8, 1999, Pages 3785-3803

  Bukowski, Robert ^a,b,e   Sadlej, Joanna ^a,f   Jeziorski, Bogumił ^a,e   Jankowski, Piotr ^a,f   Szalewicz, Krzysztof ^a,b,c   Kucharski, Stanisław A ^a,g   Williams, Hayes L ^d   Rice, Betsy M ^d  

^a UNIVERSITY OF DELAWARE   (United States)

^b HARVARD SMITHSONIAN CENTER FOR ASTROPHYSICS   (United States)

^c UNIVERSITY OF COLORADO   (United States)

^d U S ARMY RESEARCH LABORATORY   (United States)

^e UNIVERSITY OF WARSAW   (Poland)

^f JAN DLUGOSZ UNIVERSITY   (Poland)

^g UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000653431     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479108     Document Type: Article

References (103)

1. R. E. Leckeuby and E. J. Robbins, Proc. R. Soc. London, Ser. A 291, 389 (1966).
2. L. Mannick and J. C. Stryland, Can. J. Phys. 49, 3056 (1971).
3. T. E. Gough, R. E. Miller, and G. Scoles, J. Phys. Chem. 85, 4041 (1981).
4. S. E. Novick, P. B. Davies, T. R. Dyke, and W. Klemperer, J. Am. Chem. Soc. 95, 8547 (1973).
5. J. M. Lobue, J. E. Rice, and S. E. Novick, Chem. Phys. Lett. 112, 376 (1984).
6. A. E. Barton, A. Chablo, and B. J. Howard, Chem. Phys. Lett. 60, 414 (1979).
7. L. Fredin, B. Nelander, and G. Ribbegard, J. Mol. Spectrosc. 53, 410 (1974).
8. R. Guast, V. Schettino, and N. Brigot, Chem. Phys. 34, 391 (1978).
9. M. A. Walsh, T. H. England, T. R. Dyke, and B. J. Howard, Chem. Phys. Lett. 142, 265 (1987).
10. K. W. Jucks, Z. S. Huang, D. Dayton, R. E. Miller, and W. J. Lafferty, J. Chem. Phys. 86, 4341 (1987).
11. K. W. Jucks, Z. S. Huang, R. E. Miller, G. F. Fraser, A. S. Pine, and W. J. Lafferty, J. Chem. Phys. 88, 2185 (1988).
12. G. A. Pubanz, M. Maroncelli, and J. W. Nibler, Chem. Phys. Lett. 120, 313 (1985).
13. G. T. Fraser, A. S. Pine, W. J. Lafferty, and R. E. Miller, J. Chem. Phys. 87, 1502 (1987).
14. M. J. Weida, J. M. Sperhac, and D. Nesbitt, J. Chem. Phys. 103, 7685 (1995).
15. M. J. Weida and D. Nesbitt, J. Chem. Phys. 105, 10210 (1996).
16. J. A. Barnes and T. E. Gough, J. Chem. Phys. 86, 6012 (1987).
17. J. A. Barnes, T. E. Gough, and M. Stoer, J. Chem. Phys. 95, 4840 (1991).
18. R. Disselkamp and G. E. Ewing, J. Chem. Phys. 99, 2439 (1993).
19. G. Torchet, H. Bouchier, J. Farges, M. F. de Feraud, and B. Raoult, J. Chem. Phys. 81, 2137 (1984).
20. W. H. Keesom and J. W. L. Kohler, Physica (Amsterdam) 1, 167 (1934); A. D. Buckingham, Q. Rev., Chem. Soc. London 13, 183 (1959).
21. W. H. Keesom and J. W. L. Kohler, Physica (Amsterdam) 1, 167 (1934); A. D. Buckingham, Q. Rev., Chem. Soc. London 13, 183 (1959).
22. M. J. Weida, J. M. Sperhac, and D. Nesbitt, J. Chem. Phys. 105, 749 (1996).
23. R. C. Hanson, J. Phys. Chem. 89, 4499 (1985).
24. S. Aoki, H. Yanawaki, and M. Sakashita, Phys. Rev. 48, 9231 (1993).
25. J. M. Papanikolas, J. R. Gord, N. E. Levinger, D. Ray, V. Vorsa, and W. C. Lineberger, J. Chem. Phys. 99, 8733 (1993).
26. J. M. Papanikolas, V. Vorsa, M. E. Nadal, P. J. Campagnola, H. K. Buchenau, and W. C. Lineberger, J. Chem. Phys. 101, 5731 (1994).
27. P. E. Maslen, J. M. Papanikolas, J. Faeder, R. Person, and S. V. Oneil, J. Chem. Phys. 101, 5731 (1994).
28. T. J. Bruno and J. F. Ely, Supercritical Fluid Technology: Reviews in Modern Theory and Applications (CRC Press, Boca Raton, FL, 1991).
29. K. Kobashi and M. Kihara, J. Chem. Phys. 72, 3216 (1980).
30. F. L. Hirshfeld and K. Mirsky, Acta Crystallogr., Sect. A: Found. Crystallogr. 35, 531 (1983).
31. A. D. Buckingham and P. W. Fowler, Can. J. Chem. 63, 2018 (1985).
32. J. S. Muenter, J. Chem. Phys. 94, 2781 (1991).
33. C. S. Murthy, K. Singer, and I. R. McDonald, Mol. Phys. 44, 135 (1981).
34. C. S. Murthy, S. F. O'Shea, and I. R. McDonald, Mol. Phys. 50, 531 (1983).
35. J. M. Papanikolas, P. E. Maslen, and R. Parson, J. Chem. Phys. 102, 2452 (1995).
36. J.-B. Maeillet, A. Boutin, S. Buttefey, F. Calvo, and A. F. Fuchs, J. Chem. Phys. 109, 329 (1998).
37. G. Cardini, V. Schettino, and M. L. Klein, J. Chem. Phys. 90, 4441 (1989).
38. B. Kuchta and R. D. Etters, Phys. Rev. B 38, 6265 (1988).
39. R. D. Etters and B. Kuchta, J. Chem. Phys. 90, 4537 (1989).
40. D. Möller and J. Fischer, Fluid Phase Equilibria 100, 35 (1994).
41. N. Brigot, S. Odiot, S. H. Walmsley, and J. L. Whitten, Chem. Phys. Lett. 49, 157 (1977).
42. N. Brigot, S. Odiot, and S. H. Walmsley, Chem. Phys. Lett. 88, 543 (1982).
43. K. Hiraoka, T. Shoda, K. Morise, S. Yamabe, E. Kawai, and K. Hirao, J. Chem. Phys. 84, 2091 (1986).
44. R. G. A. Bone and N. C. Handy, Theor. Chim. Acta 78, 133 (1990).
45. R. Eggenberger, S. Gerber, and H. Huber, Mol. Phys. 72, 433 (1991).
46. R. Eggenberger, S. Gerber, H. Huber, and D. Searles, Chem. Phys. Lett. 183, 223 (1991).
47. K. B. Domanski, O. Kitao, and K. Nakanishi, Chem. Phys. Lett. 199, 525 (1992); Mol. Simul. 12, 343 (1994).
48. K. B. Domanski, O. Kitao, and K. Nakanishi, Chem. Phys. Lett. 199, 525 (1992); Mol. Simul. 12, 343 (1994).
49. S. Tsuzuki, T. Uchimaru, K. Tanabe, S. Kuwajima, N. Tajima, and T. Hirano, J. Phys. Chem. 100, 4400 (1996); S. Tsuzuki, T. Uchimaru, M. Mikami, K. Tanabe, T. Sako, and S. Kuwajima, Chem. Phys. Lett. 255, 347 (1996).
50. S. Tsuzuki, T. Uchimaru, K. Tanabe, S. Kuwajima, N. Tajima, and T. Hirano, J. Phys. Chem. 100, 4400 (1996); S. Tsuzuki, T. Uchimaru, M. Mikami, K. Tanabe, T. Sako, and S. Kuwajima, Chem. Phys. Lett. 255, 347 (1996).
51. M. Welker, G. Steinebrunner, J. Solca, and H. Huber, Chem. Phys. 213, 253 (1996).
52. B. Jeziorski, R. Moszynski, and K. Szalewicz, Chem. Rev. 94, 1887 (1994).
53. K. Szalewicz and B. Jeziorski, in Molecular Interactions - From van der Waals to Strongly Bound Complexes, edited by S. Scheiner (Wiley, New York, 1997), p. 3.
54. B. Jeziorski and K. Szalewicz, "Intermolecular Interactions by Perturbation Theory" in Encyclopedia of Computational Chemistry, edited by P. von Ragué Schleyer (Wiley, New York, 1998).
55. R. Moszynski, B. Jeziorski, P. E. S. Wormer, and A. van der Avoird, Chem. Phys. Lett. 221, 161 (1994).
56. R. Moszynski, B. Jeziorski, A. van der Avoird, and P. E. S. Wormer, J. Chem. Phys. 101, 2825 (1994).
57. V. F. Lotrich, H. L. Williams, K. Szalewicz, B. Jeziorski, P. E. S. Wormer, and A. van der Avoird, J. Chem. Phys. 103, 6076 (1995).
58. T. G. A. Heijmen, R. Moszynski, P. E. S. Wormer, and A. van der Avoird, J. Chem. Phys. 107, 9921 (1997).
59. V. F. Lotrich, P. Jankowski, and K. Szalewicz, J. Chem. Phys. 108, 4725 (1998).
60. G. Chałasinski and M. Gutowski, Chem. Rev. 88, 943 (1988).
61. G. Chałasinski and M. M. Szczesniak, Chem. Rev. 94, 1723 (1994).
62. H. L. Williams, E. M. Mas, K. Szalewicz, and B. Jeziorski, J. Chem. Phys. 103, 7374 (1995).
63. E. M. Mas and K. Szalewicz, J. Chem. Phys. 104, 7606 (1996).
64. B. Jeriorski, R. Moszynski, A. Ratkiewicz, S. Rybak, K. Szalewicz, and H. L. Williams, in Methods and Techniques in Computational Chemistry: METECC94, Vol. B Medium-Size Systems, edited by E. Clementi (STEF, Cagliari, 1993), p. 79.
65. S. Rybak, B. Jeziorski, and K. Szalewicz, J. Chem. Phys. 95, 6576 (1991).
66. T. Cwiok, B. Jeziorski, W. Kolos, R. Moszynski, and K. Szalewicz, J. Mol. Struct.: THEOCHEM 307, 135 (1994).
67. M. Jeziorska, B. Jeziorski, and J. Cizek, Int. J. Quantum Chem. 32, 149 (1987); R. Moszynski, T. G. A. Heijmen, and B. Jeziorski, Mol. Phys. 88, 741 (1996).
68. M. Jeziorska, B. Jeziorski, and J. Cizek, Int. J. Quantum Chem. 32, 149 (1987); R. Moszynski, T. G. A. Heijmen, and B. Jeziorski, Mol. Phys. 88, 741 (1996).
69. H. B. Jansen and P. Ros, Chem. Phys. Lett. 3, 140 (1969); S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
70. H. B. Jansen and P. Ros, Chem. Phys. Lett. 3, 140 (1969); S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
71. G. Chałasinski and M. M. Szczȩsniak, Mol. Phys. 63, 205 (1988).
72. R. Moszynski, B. Jeziorski, A. Ratkiewicz, and S. Rybak, J. Chem. Phys. 99, 8856 (1993).
73. R. Moszynski, S. M. Cybulski, and G. Chałasinski, J. Chem. Phys. 100, 4998 (1994).
74. G. Granar, C. Rossetti, and D. Bailly, Mol. Phys. 58, 627 (1986); G. Granar, in Accurate Molecular Structure, editors A. Domenicano and I. Hatgittai (Oxford University Press, New York, 1992), p. 65.
75. G. Granar, C. Rossetti, and D. Bailly, Mol. Phys. 58, 627 (1986); G. Granar, in Accurate Molecular Structure, editors A. Domenicano and I. Hatgittai (Oxford University Press, New York, 1992), p. 65.
76. R. Ahlrichs, Theor. Chim. Acta 41, 7 (1976); J. D. Morgan III and B. Simon, Int. J. Quantum Chem. 17, 1143 (1980).
77. R. Ahlrichs, Theor. Chim. Acta 41, 7 (1976); J. D. Morgan III and B. Simon, Int. J. Quantum Chem. 17, 1143 (1980).
78. D. M. Brink and G. R. Satchler, Momentum (Clarendon, Oxford, 1975).
79. A. van der Avoird, P. E. S. Wormer, F. Mulder, and R. M. Berns, Top. Curr. Chem. 93, 1 (1980).
80. T. G. A. Heijmen, R. Moszynski, P. E. S. Wormer, and A. van der Avoird, Mol. Phys. 89, 81 (1996).
81. P. E. S. Wormer and H. Hettema, J. Chem. Phys. 97, 5592 (1992); POLCOR package, University of Nijmegen, 1992.
82. J. N. Watson, I. E. Craven, and G. L. D. Ritchie, Chem. Phys. Lett. 274, 1 (1997).
83. R. T. Pack, J. Chem. Phys. 61, 2091 (1974).
84. W. Q. Cai, T. E. Gough, X. J. Gu, N. R. Isenor, and G. Scoles, Phys. Rev. A 36, 4722 (1987).
85. M. P. Bogaard, A. D. Buckingham, R. K. Pierens, and A. H. White, J. Chem. Soc., Faraday Trans. 1 74, 3008 (1974).
86. H. Partridge, J. Chem. Phys. 87, 6643 (1987); 90, 1043 (1989); NASA Technical Memorandum 89449; 101044; 103918; H. Partridge and K. Faegri, Jr., Theor. Chim. Acta 82, 207 (1992).
87. H. Partridge, J. Chem. Phys. 87, 6643 (1987); 90, 1043 (1989); NASA Technical Memorandum 89449; 101044; 103918; H. Partridge and K. Faegri, Jr., Theor. Chim. Acta 82, 207 (1992).
88. H. Partridge, J. Chem. Phys. 87, 6643 (1987); 90, 1043 (1989); NASA Technical Memorandum 89449; 101044; 103918; H. Partridge and K. Faegri, Jr., Theor. Chim. Acta 82, 207 (1992).
89. H. Partridge, J. Chem. Phys. 87, 6643 (1987); 90, 1043 (1989); NASA Technical Memorandum 89449; 101044; 103918; H. Partridge and K. Faegri, Jr., Theor. Chim. Acta 82, 207 (1992).
90. K. Szalewicz, S. J. Cole, W. Kolos, and R. J. Bartlett, J. Chem. Phys. 89, 3662 (1988).
91. S. Huzinaga and M. Klobukowski, J. Mol. Struct. 167, 1 (1988); S. Huzinaga, M. Klobukowski, and H. Tatewaki, Can. J. Chem. 63, 1812 (1985).
92. S. Huzinaga and M. Klobukowski, J. Mol. Struct. 167, 1 (1988); S. Huzinaga, M. Klobukowski, and H. Tatewaki, Can. J. Chem. 63, 1812 (1985).
93. J. Sadlej, M. M. Szczesniak, and G. Chałasinski, J. Chem. Phys. 99, 5211 (1993).
94. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
95. J. V. Burda, R. Zahradnik, P. Habza, and M. Urban, Mol. Phys. 89, 425 (1996).
96. A. Misquitta, R. Bukowski, K. Szalewicz, and B. Jeziorski (to be published).
97. K. T. Tang and J. P. Toennies, J. Chem. Phys. 80, 3726 (1984).
98. C. J. Cerjan and W. H. Miller, J. Chem. Phys. 75, 2800 (1981).
99. A. J. Stone, A. Dullweber, M. P. Hodgas, P. L. A. Popelier, and D. J. Wales, ORIENT program, version 3.2.
100. J. M. H. Levelt Sengers, M. Klein, and J. S. Gallagher, American Institute of Physics Handbook, 3rd ed. (AIP, New York, 1972), p. 204.
101. A. J. Stone, Chem. Phys. Lett. 83, 233 (1981).
102. B. Schramm and Muller, Ber. Bunsenges. Phys. Chem. 90, 342 (1986).
103. B. Schramm and Muller, Ber. Bunsenges. Phys. Chem. 86, 110 (1982).