An ab initio linear electron correlation functional

Journal of Chemical Physics

Volumn 110, Issue 8, 1999, Pages 3672-3677

  Rassolov, Vitaly A ^a  

^a NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0005069264     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478795     Document Type: Article

References (20)

1. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules, 1st ed. (Oxford University Press, New York, NY, 1989).
2. A. Nagy, Phys. Rep. 298, 1 (1998).
3. Y. C. Zheng and J. Almlof, Chem. Phys. Lett. 214, 260 (1993).
4. K. R. Glaesemann and M. S. Gordon, J. Chem. Phys. 108, 9959 (1998).
5. H. A. Bethe and E. E. Salpeter, Quantum Mechanics of One- and Two-Electron Atoms (Springer-Verlag, Berlin, 1957).
6. E. R. Davidson, S. A. Hagstrom, S. J. Chakravorty, V. M. Umar, and C. F. Fischer, Phys. Rev. A 44, 7071 (1991).
7. S. Ivanov and M. Levy, J. Phys. Chem. A 102, 3151 (1998).
8. M. Levy, Phys. Rev. A 43, 4637 (1991).
9. A. Gorling and M. Levy, Phys. Rev. A 45, 1509 (1991).
10. V. A. Rassolov, J. A. Pople, and M. A. Ratner, submitted to Phys. Rev. B.
11. E. Wigner, Phys. Rev. 40, 749 (1932).
12. Waterloo Maple Inc., 57 Erb Street W. Waterloo, Ontario N2L, Canada.
13. The MELDF program was originally written by L. McMurchie, S. Elbert, S. Langhoff and E. R. Davidson. It has been substantially modified by D. Feller, R. Cave, D. Rawlings et al.
14. GAUSSIAN 94, Revision D.4, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill et al., Gaussian, Inc., Pittsburgh, PA, 1995.
15. S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. F. Fischer, Phys. Rev. A 47, 3649 (1993).
16. P. S. Bagus, B. Liu, and H. F. Schaefer, Phys. Rev. A 2, 555 (1970).
17. R. Colle and O. Salvetti, Theor. Chim. Acta 37, 329 (1974).
18. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
19. A. A. Jarzecki and E. R. Davidson, Phys. Rev. A 158, 1902 (1998).
20. J. M. Perez-Jorda, E. San-Fabian, and F. Moscardo, Phys. Rev. A 45, 4407 (1992).