Application of the Truhlar basis set extrapolation procedure to ab initio calculations on van der Waals complexes

Molecular Physics

Volumn 99, Issue 6, 2001, Pages 525-529

  Butler, Peter R ^a   Ellis, Andrew M ^a  

^a UNIVERSITY OF LEICESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; ATOMS; CALCULATIONS; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; NEON;

DISSOCIATION ENERGY; ELECTRON CORRELATION ENERGY; VAN DER WAALS BOND LENGTH;

VAN DER WAALS FORCES;

EID: 0035917231     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970010018855     Document Type: Article

References (22)

1. Hobza, P., and Zahradnik, R., 1988, Chem. Rev., 88, 871.
2. Chalasinski, G., and Gutowski, M., 1988, Chem. Rev., 88, 943.
3. Buckingham, A. D., Fowler, P. W., and Hutson, J. M., 1988, Chem. Rev., 88, 963.
4. Chalasinski, G., and Szczesniak, M., 1994, Chem. Rev., 94, 1723.
5. Hobza, P., Selze, H. L., and Schlag, E. W., 1994, Chem. Rev., 94, 1767.
6. Feller, D., 1992, J. chem. Phys., 96, 6104.
7. Martin, J. M. L., 1996, Chem. Phys. Lett., 259, 669.
8. Helgaker, T., Klopper, W., Koch, H., and Noga, J., 1997, J. chem. Phys., 106, 9639.
9. Halkier, A., Klopper. W., Helgaker, T., Jørgensen, P., and Taylor, P. R., 1999, J. chem. Phys., 111, 9157.
10. Woon, D. E., 1994, J. chem. Phys., 100, 2838.
11. van Mourik, T., and Dunning, T. H., 1997, J. chem. Phys., 107, 2451.
12. van Mourik, T., Wilson, A. K., and Dunning, T. H., 1991, Molec. Phys., 96, 529.
13. Partridge, H., and Bauschlicher, C. W., 1999, Molec. Phys., 96, 705.
14. Truhlar, D. G., 1998, Chem. Phys. Lett., 294, 45.
15. Dunning, T. H., 1989, J. chem. Phys., 90, 1007.
16. Kendall, R. A., Dunning, T. H., and Harrison, R. J., 1992, J. chem. Phys., 96, 6796.
17. Woon, D. E., and Dunning, T. H., 1993, J. chem. Phys., 98, 1358.
18. Fast, P.L., Sánchez, M.L., and Truhlar, D.G., 1999 J. chem. Phys., 111, 2921.
19. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Gill, P. M. W., Johnson, B. G., Robb, M. A., Cheeseman, J. R., Keith, T. A., 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. A., Wong, M. W., Andres, J. L., Replogle, E. S., Gomperts, R., Martin, R. L., Fox, D. J., Binkley, J. S., Defrees, D. J., Baker, J., Stewart, J. P., Head-Gordon, M., Gonzalez, C., and Pople, J. A., 1995, Gaussian 94, Revision B.2 (Pittsburgh, PA: Gaussian, Inc.).
20. Cybulski, S. M., and Toczylowski, R. R., 1999, J. chem. Phys., 111, 10520.
21. Hayes, I. C., Hurst, G. J. B., and Stone, A. J., 1984, Molec. Phys., 53, 107.
22. Fowler, P. W., and Buckingham, A. D., 1983, Molec. Phys., 50, 1349.