Coulomb energies via Stewart densities

Chemical Physics Letters

Volumn 286, Issue 3-4, 1998, Pages 226-232

  Lee, Aaron M ^a   Gill, Peter M W ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032502379     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00122-5     Document Type: Article

References (29)

1. S.F. Boys, I. Shavitt.
2. Newton M.D., Ostlund N.S., Pople J.A. J. Chem. Phys. 49:1968;5192.
3. Harris F.E., Rein R. Theor. Chim. Acta. 6:1966;73.
4. Monkhorst H.J., Harris F.E. Chem. Phys. Lett. 3:1969;537.
5. Billingsley F.P., Bloor J.E. J. Chem. Phys. 55:1971;5178.
6. Popkie H.E., Kaufman J.J. Int. J. Quantum. Chem. Quantum Biol. Symp. 2:1975;279.
7. Campbell J.C., Hillier I.H., Saunders V.R. Chem. Phys. Lett. 69:1980;219.
8. van Alsenoy C. J. Comput. Chem. 9:1988;620.
9. Fortunelli A., Salvetti O. Chem. Phys. Lett. 186:1991;372.
10. Feyersisen M., Fitzgerald G., Komornicki A. Chem. Phys. Lett. 208:1993;359.
11. Vahtras O., Almlöf J., Feyereisen M.W. Chem. Phys. Lett. 213:1993;514.
12. Baerends E.J., Ellis D.E., Ros P. Chem. Phys. 2:1973;41.
13. Rys J., King H.F., Coppens P. Chem. Phys. Lett. 41:1976;383.
14. Yáñez M., Stewart R.F., Pople J.A. Acta Crystallogr. A. 34:1978;641.
15. Dunlap B.I., Connolly J.W.D., Sabin J.R. J. Chem. Phys. 71:1979;3396.
16. Eichkorn K., Treutler O., Öhm H., Häser M., Ahlrichs R. Chem. Phys. Lett. 240:1995;283.
17. Gill P.M.W., Johnson B.G., Pople J.A., Taylor S.W. J. Chem. Phys. 96:1992;7178.
18. Stewart R.F. Isr. J. Chem. 16:1977;124.
19. Gill P.M.W. J. Phys. Chem. 100:1996;15421.
20. White C.A., Johnson B.G., Gill P.M.W., Head-Gordon M. Chem. Phys. Lett. 230:1994;8.
21. Pérez-Jordá J.M., Yang W. J. Chem. Phys. 107:1997;1218.
22. Dombroski J.P., Taylor S.W., Gill P.M.W. J. Phys. Chem. 100:1996;6272.
23. Adamson R.D., Dombroski J.P., Gill P.M.W. Chem. Phys. Lett. 254:1996;329.
24. Lee A.M., Taylor S.W., Dombroski J.P., Gill P.M.W. Phys. Rev. A. 55:1997;3233.
25. Gill P.M.W. Chem. Phys. Lett. 270:1997;193.
26. A.M. Lee and P.M.W. Gill, to be published.
27. B.G. Johnson, P.M.W. Gill, M. Head-Gordon, C.A. White, J. Baker, D.R. Maurice, T.R. Adams, J. Kong, M. Challacombe, E. Schwegler, M. Oumi, C. Ochsenfeld, N. Ishikawa, J. Florian, R.D. Adamson, J.P. Dombroski, R.L. Graham, A. Warshel, Q-Chem, Version 1.1, Q-Chem, Inc., Pittsburgh, PA, 1997.
28. Curtiss L.A., Raghavachari K., Redfern P.C., Pople J.A. J. Chem. Phys. 106:1997;1063.
29. R.D. Adamson, P.M.W. Gill, to be published.