TDMP2 calculation of dynamic multipole polarizabilities and dispersion coefficients of the noble gases Ar, Kr, Xe, and Rn

Journal of Physical Chemistry

Volumn 100, Issue 15, 1996, Pages 6243-6248

  Hättig, Christof ^a   Hess, Bernd Artur ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; CALCULATIONS; KRYPTON; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PHYSICAL CHEMISTRY; RADON; XENON;

BASIS SETS; DISPERSION COEFFICIENTS; DYNAMIC MULTIPOLE POLARIZABILITIES; TIME DEPENDENT MOLLER-PLESSET PERTURBATION THEORY (TDMP2);

INERT GASES;

EID: 0030123118     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9528121     Document Type: Article

References (45)

1. Wormer, P. E. S.; Hettema, H. J. Client. Pliys. 1992, 97, 5592.
2. Thakkar, A. J.; Hettema, H.; Wormer, P. E. S. J. Chem. Ph\s. 1992, 97, 3252.
3. Bulski, M.; Wormer, P. E. S.; van der Avoird, A. J. Chem. Pliys. 1991, 94, 491-500.
4. Bulski, M.; Wormer, P. E. S.; van der Avoird, A. J. Chem. Ph\s. 1991, 94, 8096.
5. Sauer, S. P. A.; Diercksen, G. H. R; Oddershede, J. Int. J. Quantum Chem. 1991, 39, 667-679.
6. Bishop, D. M.; Pipin, J. J. Chem. Pliys. 1992, 97, 3375-3381.
7. Bishop, D. M.; Pipin, J. Int. J. Quantum Chem. 1993,45, 349-361.
8. Wormer, P. E. S.; Rijks, W. Phys. Rev. A 1986, 33, 2928-2939.
9. Rijks, W.; Wormer, P. E. S. J. Chem. Phys. 1988,88, 5704-5714. -
10. Fowler, P. W.; Jorgensen, P.; Olsen, J. J. Client. Pliys. 1990, 93, 7256-7263.
11. Rahman, N. K.; Rizzo, A.; Yeaeer, D. L. Ghent. Ph\s. Lett. 1990, 766, 565.
12. Jaszuriski, M.; Jorgensen, P.; Rizzo, A. Tlieor. Cliim. Acta 1995, 90,291-306.
13. Rice, J. E.; Handy, N. C. J. Chem. Phys. 1991, 94, 4959-4970.
14. Nicklass, A.; Dolg, M.; Stoll, H.; Preuss, H. J. Chem. Phys. 1995, 702, 8942.
15. Hättig, C.; Hess, B. A. Chem. Ph\s. Lett. 1995, 233, 359-370.
16. Hess, B. A.; Marian, C. M.; P'eyerimhoff, S. D. In Modern Electronic Structure Theory; Yarkony, D. R., Ed.; World Scientific: Singapore, 1995; Chapter Ab initia Calculation of Spin-Orbit Effects in Molecules Including Electron Correlation.
17. Sucher, J. Phys. Rev. A 1980, 22, 348-362.
18. Buchmüller, W.; Dietz, K. Z Pins. C 1980, 5, 45.
19. Hess, B. A. Phys. Rev. A 1986, 33, 3742-3748.
20. Jansen, G.; Hess, B. A. Phys. Rev. A 1989, 39, 6016-6017.
21. Sasagane, K.; Aiga, F.; Höh, R. J. Chem. Phys. 1993, 99, 37383778.
22. Handy, N. C.; Schaefer, H. F. J. Chem. Ph\s. 1984, 81, 5031.
23. Jorgensen, P.; Helgaker, T. J. Chem. Pliys. 1988, 89, 1560-1570.
24. Helgaker, T.; Jorgensen, P. Adv. Quantum Chem. 1988, 19, 183-245.
25. Helgaker, T.; Jorgensen, P.; Handy, N. C. Theor. Chim. Acta 1989, 76, 227-245.
26. Zeiss, G. D.; Meath, W. J. Mol. Ph\s. 1975, 30, 161-169.
27. Hohm, U. Mol. Phys. 1993, 78, 929-941.
28. Langhoff, P. W.; Gordon, R. G.; Karplus, M. J. Client. Phys. 1971, 55, 2126.
29. Woon, D. E.; Dunning, T. H. J. Chem. Phvs. 1994, 100, 29752988.
30. McEachran, R. P.; Stauffer, A. D.; Greita, S. J. Phys. B 1979, 12, 3119-3123.
31. Huzinaga, S.; Klobukowski, M. Chem. Phys. Lett. 1993,2/2,260264.
32. Sadlej, A. J. Theor. Chim. Acta 1991, 79, 123-140.
33. Bishop, D. M.; Cybulski, S. M. Chem. Phys. Lett. 1993, 211, 255258.
34. Kumar, A.; Meath, W. J. Mol. Phys. 1985, 54, 823-833.
35. Rice, J. E.; Taylor, P. R.; Lee, T. J.; Almlöf, J. J. Chem. Phys. 1991, 94, 4972-4978.
36. Cemusak, I.; Diercksen, G. H. F.; Sadlej, A. J. Chem. Ph\s. Lett. 1986, 128, 18-24.
37. Hohm, U.: Kerl, K. Mol. Phys. 1990, 69, 819-831.
38. Johnstone, D. R.; Oudemans, G. J.; Cole, R. H. J. Chem. Phys. 1960,55,1310-1317.
39. Dalgarno, A.; Kingstone, A. E. Proc. R. Soc. A 1960, 259, 424429.
40. Leonard, P. J.; Barker, J. A. In Theoretical Chemistry, Advances and Perspectives; Academic Press: New York, 1975; Vol. l, p 117.
41. Stiehler, J.; Hinze, J. J. Ph\s. B 1995, 28, 4055.
42. Kolb, D.; Johnson, W. R.; Shorer, P. Ph\s. Ret: A 1982, 26, 1931.
43. Maroulis, G.; Thakkar, A. J. J. Chem. Phys. 1988, 89, 7320.
44. Teachout, R. R.; Pack, R. T. Atom Data 1971, 3, 195-214.
45. Thakkar, A. J. J. Chem. Phvs. 1981, 75, 4496.