Ab initio dynamic multipole polarizabilities and hyperpolarizabilities of H2O and the long-range interaction coefficients for its dimer

Journal of Chemical Physics

Volumn 108, Issue 4, 1998, Pages 1532-1543

  Spelsberg, Dirk ^a   Meyer, Wilfried ^a  

^a Rheinland Pfälzische Technische Universität Kaiserslautern Landau   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001645974     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475551     Document Type: Article

References (60)

1. F. Aiga and R. Itoh, Chem. Phys. Lett. 251, 372 (1996).
2. P. E. S. Wormer and H. Hettema, J. Chem. Phys. 97, 5592 (1992).
3. W. Rijks and P. E. S. Wormer, J. Chem. Phys. 90, 6507 (1989).
4. B. Datta, P. Sen, and D. Mukherjee, J. Phys. Chem. 99, 6441 (1995).
5. P. Jørgensen, H. J. Aa. Jensen, and J. Olsen, J. Chem. Phys. 89, 3654 (1988).
6. E. A. Reinsch, J. Chem. Phys. 83, 5784 (1985).
7. A. M. Sanchez, H. J. Aa. Jensen, and P. Jørgensen, Chem. Phys. Lett. 186, 379 (1991).
8. Y. Luo, H. Ågren, O. Vahtras, P. Jørgensen, V. Spirko, and H. Hettema, J. Chem. Phys. 98, 7159 (1993).
9. F. Visser, P. E. S. Wormer, and W. P. J. H. Jacobs, J. Chem. Phys. 82, 3753 (1985).
10. S. Iwata, Chem. Phys. Lett. 102, 544 (1983).
11. G. Berthier, J. P. Flament, and M. Rerat, J. Mol. Struct.: THEOCHEM 166, 97 (1988).
12. Y. Nomura, S. Miura, M. Fukanaga, S. Narita, and T. Shibuya, J. Chem. Phys. 106, 3243 (1997).
13. D. Spelsberg and W. Meyer, J. Chem. Phys. 101, 1282 (1994).
14. G. D. Zeiss and W. J. Meath, Mol. Phys. 30, 161 (1975).
15. W. F. Murphy, J. Chem. Phys. 67, 5977 (1977).
16. J. F. Ward and C. K. Miller, Phys. Rev. A 19, 826 (1979).
17. D. Spelsberg, T. Lorenz, and W. Meyer, J. Chem. Phys. 99, 7845 (1993).
18. D. Spelsberg and W. Meyer, J. Phys. Chem. 100, 14 637 (1996).
19. A. Dalgarno, Adv. Phys. 11, 281 (1962).
20. P. W. Langhoff, S. T. Epstein, and M. Karplus, Rev. Mod. Phys. 44, 602 (1972).
21. E. R. Davidson, J. Comput. Phys. 17, 87 (1975).
22. H. J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
23. P. J. Knowles and H. J. Werner, Chem. Phys. Lett. 145, 514 (1988).
24. T. C. Caves and M. Karplus, J. Chem. Phys. 50, 3649 (1969).
25. I. A. Stegun, in Handbook of Mathematical Functions With Formulas, Graphs, and Mathematical Tables, National Bureau of Standards, Applied Mathematics Series, Vol. 55, edited by M. Abramowitz and I. A. Stegun (National Bureau of Standards, Washington, DC, 1972), p. 322.
26. D. M. Bishop, Rev. Mod. Phys. 62, 343 (1990).
27. M. P. Bogaard and B. J. Orr, in Molecular Structure and Properties, International Review in Science, Physical Chemistry, Ser. 2, edited by A. D. Buckingham, London (1975), p. 149ff.
28. W. A. Parkinson and J. Oddershede, J. Chem. Phys. 94, 7251 (1991).
29. R. S. Finn and J. F. Ward, J. Chem. Phys. 60, 454 (1974).
30. S. C. Wang, Phys. Rev. 34, 243 (1929).
31. H. J. Werner and W. Meyer, Mol. Phys. 31, 855 (1976).
32. S. Huzinaga, J. Chem. Phys. 42, 1293 (1965).
33. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989).
34. A. Rauk and J. M. Barriel, Chem. Phys. 25, 409 (1977).
35. G. Theodorakopoulos, D. Petsalakis, C. Nicolaides, and R. J. Buenker, Chem. Phys. 100, 331 (1985).
36. R. A. Phillips and R. J. Buenker, Chem. Phys. Lett. 137, 157 (1987).
37. R. J. Buenker and S. D. Peyerimhoff, Chem. Phys. Lett. 29, 253 (1974).
38. E. N. Lassetre and E. R. White, J. Chem. Phys. 60, 2460 (1974).
39. E. N. Lassetre and A. Skerbele, J. Chem. Phys. 60, 2464 (1974).
40. K. Watanabe and M. Zelikoff, J. Opt. Soc. Am. 43, 753 (1953).
41. A. J. Harrison, B. J. Cederholm, and M. Terwilliger, J. Chem. Phys. 30, 355 (1959).
42. D. J. Margoliash and W. J. Meath, J. Chem. Phys. 68, 1426 (1978).
43. G. D. Zeiss and W. J. Meath, Mol. Phys. 33, 1155 (1977).
44. G. D. Zeiss, W. J. Meath, J. C. F. MacDonald, and D. J. Dawson, Radiat. Res. 63, 64 (1975).
45. S. P. A. Sauer, J. R. Sabin, and J. Oddershede, Phys. Rev. A 47, 1123 (1993).
46. G. Maroulis, J. Chem. Phys. 94, 1182 (1991).
47. T. Pluta, J. Noga, and R. J. Bartlett, Int. J. Quantum Chem. Quantum Chem. Symp. 28, 379 (1994).
48. H. Barrell and J. E. Sears, Philos. Trans. R. Soc. London, Ser. A 238, 1 (1939).
49. K. E. Erickson, J. Opt. Soc. Am. 52, 777 (1962).
50. C. Cuthbertson and M. Cuthbertson, Philos. Trans. R. Soc. London, Ser. A 213, 1 (1913).
51. C. Cuthbertson and M. Cuthbertson, Proc. R. Soc. London, Ser. A 155, 213 (1936).
52. H. Sekino and R. J. Bartlett, J. Chem. Phys. 98, 3022 (1993).
53. N. Durante, U. T. Lamanna, G. P. Arrighini, and C. Guidotti, Theor. Chim. Acta 90, 115 (1995).
54. Y. Y. Dmitriev, A. O. Mitrushenkov, M. P. Fülscher, and B. O. Roos, Int. J. Quantum Chem. 47, 155 (1993).
55. H. Koch, H. J. Aa. Jensen, P. Jørgensen, and T. Helgaker, J. Chem. Phys. 93, 3345 (1990).
56. S. A. Clough, Y. Beers, G. P. Klein, and L. S. Rothman, J. Chem. Phys. 59, 2254 (1973).
57. J. Verhoeven and A. Dymanus, J. Chem. Phys. 52, 3222 (1970).
58. G. D. Zeiss, W. J. Meath, J. C. F. MacDonald, and D. J. Dawson, Can. J. Phys. 55, 2080 (1977).
59. G. D. Purvis III and R. J. Bartlett, Phys. Rev. A 23, 1594 (1981).
60. J. Guan, P. Duffy, J. T. Carter, D. P. Chong, K. C. Casida, M. E. Casida, and M. Wrinn, J. Chem. Phys. 98, 4753 (1993).