Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets

Chemical Physics Letters

Volumn 281, Issue 1-3, 1997, Pages 151-156

  Laikov, Dmitri N ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031578979     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)01206-2     Document Type: Article

References (13)

1. [1] T. Ziegler, Chem. Rev. 91 (1991) 651.
2. [2] A. St. Amant, D.R. Salahub, Chem. Phys. Lett. 169 (1990) 387.
3. [3] J. Andzelm, E. Wimmer, J. Chem. Phys. 96 (1992) 1280.
4. [4] K. Eichkorn, O. Treutler, H. Öhm, M. Häser, R. Ahlrichs, Chem. Phys. Lett. 240 (1995) 283.
5. [5] O. Vahtras, J. Almlöf, M.W. Feyereisen, Chem. Phys. Lett. 213 (1993) 514.
6. [6] B.I. Dunlap, J. Andzelm, J.W. Mintmire, Phys. Rev. A 42 (1990) 6354.
7. [7] L.E. McMurchie, E.R. Davidson, J. Comput. Phys. 29 (1978) 218.
8. [8] A.D. Becke, J. Chem. Phys. 88 (1988) 2547.
9. [9] V.I. Lebedev, Dokl. Akad. Nauk 338 (1994) 454.
10. [10] V.I. Lebedev, Dokl. Akad. Nauk 324 (1992) 519.
11. [11] A.D. Becke, Phys. Rev. A 38 (1988) 3098.
12. [12] C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
13. [13] A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 100 (1994) 5829.