Potential energy surface for interactions between N2 and He: Ab initio calculations, analytic fits, and second virial coefficients

Journal of Chemical Physics

Volumn 104, Issue 7, 1996, Pages 2541-2547

  Hu, Ching Han ^a   Thakkar, Ajit J ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000789287     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471002     Document Type: Article

References (44)

1. R. A. Aziz, in Inert Gases, Potentials, Dynamics and Energy Transfer in Doped Crystals, edited by M. L. Klein (Springer, Berlin, 1984), Chap. 2.
2. J. M. Hutson, Annu. Rev. Phys. Chem. 41, 123 (1990).
3. L. Beneventi, P. Casavecchia, G. G. Volpi, C. C. K. Wong, F. R. W. McCourt, G. C. Corey, and D. Lemoine, J. Chem. Phys. 95, 5827 (1991).
4. I . Mills, T. Cvitaš, K. Homan, N. Kallay, and K. Kuchitsu, Quantities, Units and Symbols in Physical Chemistry, 2nd ed. (Blackwell, Oxford, 1993).
5. B. Jeziorski, R. Moszynski, and K. Szalewicz, Chem. Rev. 94, 1887 (1994).
6. F. B. van Duijneveldt, J. G. C. M. van Duijneveldt-van de Rijdt, and J. H. van Lenthe, Chem. Rev. 94, 1873 (1994).
7. H. B. Jansen and P. Ros, Chem. Phys. Lett. 3, 140 (1969).
8. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
9. C. Møller and M. S. Plesset, Phys. Rev. 46, 618 (1934).
10. R. J. Bartlett, Annu. Rev. Phys. Chem. 32, 359 (1981).
11. W. J. Hehre, L. Radom, P. v. R. Schleyer, and J. A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
12. F.-M. Tao and Y.-K. Pan, J. Chem. Phys. 97, 4989 (1992).
13. D. E. Woon, Chem. Phys. Lett. 204, 29 (1993).
14. D. E. Woon, J. Chem. Phys. 100, 2838 (1994).
15. M. Urban, I. Cernusak, V. Kello, and J. Noga, Method Comput. Chem. 1, 117 (1987).
16. F.-M. Tao and Y.-K. Pan, Chem. Phys. Lett. 194, 162 (1992).
17. F.-M. Tao and W. Klemperer, J. Chem. Phys. 97, 440 (1992);
18. F.-M. Tao and W. Klemperer, J. Chem. Phys. 99, 5976 (1993);
19. F.-M. Tao, J. Chem. Phys. ibid. 98, 3049 (1993).
20. F.-M. Tao and W. Klemperer, J. Chem. Phys. 101, 1129 (1994).
21. F.-M. Tao, J. Chem. Phys. 100, 4947 (1994).
22. F.-M. Tao and Y.-K. Pan, Mol. Phys. 81, 507 (1994).
23. R. Burcl, G. Chalasiński, R. Bukowski, and M. M. Szcześniak, J. Chem. Phys. 103, 1498 (1995).
24. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
25. D. E. Woon and T. H. Dunning, J. Chem. Phys. 100, 2975 (1994).
26. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
27. S. Huzinaga and M. Klobukowski, J. Mol. Struct. 167, 1 (1988).
28. T. W. Dingle, S. Huzinaga, and M. Klobukowski, J. Comp. Chem. 10, 753 (1989).
29. S. Huzinaga, J. Chem. Phys. 42, 1293 (1965).
30. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules (Van Nostrand, New York, 1987).
31. R. R. Fuchs, F. R. W. McCourt, A. J. Thakkar, and F. Grein, J. Phys. Chem. 88, 2036 (1984).
32. C. Douketis, G. Scoles, S. Marchetti, M. Zen, and A. J. Thakkar, J. Chem. Phys. 76, 3057 (1982).
33. M. J. D. Powell, Comput. J. 7, 115 (1964).
34. A. J. Thakkar, CnjDir 2.20, an unpublished FORTRAN subroutine.
35. H. Hettema, P. E. S. Wormer, and A. J. Thakkar, Mol. Phys. 80, 533 (1993).
36. L. Beneventi, P. Casavecchia, and G. G. Volpi, J. Chem. Phys. 85, 7011 (1986).
37. F. A. Gianturco, M. Venanzi, R. Candori, F. Pirani, F. Vecchiocattivi, A. S. Dickinson, and M. S. Lee, Chem. Phys. 109, 417 (1986);
38. F. A. Gianturco, M. Venanzi, R. Candori, F. Pirani, F. Vecchiocattivi, A. S. Dickinson, and M. S. Lee, Chem. Phys. 113, 166 (1987).
39. M. S. Bowers, K. T. Tang, and J. P. Toennies, J. Chem. Phys. 88, 5465 (1988).
40. A. J. Banks, D. C. Clary, and H. J. Werner, J. Chem. Phys. 84, 3788 (1986).
41. F. A. Gianturco and M. Venanzi, J. Chem. Phys. 91, 5352 (1989).
42. R. T Pack, J. Chem. Phys. 78, 7217 (1983).
43. B. Schramm and A. Büchner, Chem. Phys. Lett. 98, 118 (1983).
44. Available upon e-mail request to ajit@unb.ca