Efficient calculation of coupled Kohn-Sham dynamic susceptibility functions and dispersion energies with density fitting

Chemical Physics Letters

Volumn 414, Issue 1-3, 2005, Pages 111-116

  Bukowski, Robert ^a   Podeszwa, Rafał ^a   Szalewicz, Krzysztof ^a  

^a UNIVERSITY OF DELAWARE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; DISPERSIONS;

DENSITY FITTING APPROXIMATION; DISPERSION ENERGIES; KOHN-SHAM DYNAMIC SUSCEPTIBILITY;

MAGNETIC SUSCEPTIBILITY;

EID: 28844443869     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.08.048     Document Type: Article

References (28)

1. H.L. Williams, and C.F. Chabalowski J. Phys. Chem. A 105 2001 646
2. A.J. Misquitta, and K. Szalewicz Chem. Phys. Lett. 357 2002 301
3. A.J. Misquitta, B. Jeziorski, and K. Szalewicz Phys. Rev. Lett. 91 2003 33201
4. A. Hesselmann, and G. Jansen Chem. Phys. Lett. 357 2002 464
5. A. Hesselmann, and G. Jansen Chem. Phys. Lett. 362 2002 319
6. A. Hesselmann, and G. Jansen Chem. Phys. Lett. 367 2003 778
7. A. Hesselmann, G. Jansen, and M. Schütz J. Chem. Phys. 122 2005 014103
8. A. Görling, H.H. Heinze, S.P. Ruzankin, M. Staufer, and N. Rösch J. Chem. Phys. 110 1999 2785
9. F.D. Sala, and A. Görling J. Chem. Phys. 115 2001 5718
10. H.C. Longuet-Higgins Disc. Farad. Soc. 40 1965 7
11. E. Zaremba, and W. Kohn Phys. Rev. B 13 1976 2270
12. R. McWeeny Croat. Chem. Acta 57 1984 865
13. M.E. Casida D.P. Chong Recent Advances in Density-Functional Theory 1995 World Scientific 155
14. S.M. Colwell, N.C. Handy, and A.M. Lee Phys. Rev. A 53 1996 1316
15. B.I. Dunlap, J.W.D. Connolly, and J.R. Sabin J. Chem. Phys. 71 1979 4993
16. C. Jamorski, M.E. Casida, and D.R. Salahub J. Chem. Phys. 104 1995 5134
17. B.I. Dunlap Phys. Chem. Chem. Phys. 2 2000 2113
18. H-J. Werner, F.R. Manby, and P.J. Knowles J. Chem. Phys. 118 2003 8149
19. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
20. C. Adamo, and V. Barone J. Chem. Phys. 110 1999 6158
21. E. Fermi, and E. Amaldi Mem. Accad. Italia 6 1934 119
22. D.J. Tozer, and N.C. Handy J. Chem. Phys. 109 1998 10180
23. T. Helgaker et al., DALTON, A Molecular Electronic Structure Program, Release 2.0, Rev. 0, 2005, Available from: 〈http://www.kjemi.uio.no/ software/dalton/dalton.html〉.
24. R.A. Kendall, T.H. Dunning, and R.J. Harrison J. Chem. Phys. 96 1992 6796
25. H.L. Williams, E.M. Mas, K. Szalewicz, and B. Jeziorski J. Chem. Phys. 103 1995 7374
26. F. Weigend, A. Köhn, and C. Hättig J. Chem. Phys. 116 2002 3175
27. S. Tsuzuki, K. Honda, M. Mikami, and K. Tanabe J. Am. Chem. Soc. 124 2002 104
28. C.S. Choi, and E. Prince Acta Cryst. B 28 1972 2857