Padé approximation for the polynomial representation of the correlation energy density functional

Chemical Physics Letters

Volumn 270, Issue 5-6, 1997, Pages 443-452

  López Boada, Roberto ^a   Karasiev, Valentin ^a   Liu, Shubin ^b  

^a INSTITUTO VENEZOLANO DE INVESTIGACIONES CIENTÍFICAS   (Venezuela)

^b University of North Carolina at Chapel Hill   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031591337     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00384-9     Document Type: Article

References (26)

1. [1] R.G. Parr, W. Yang, Density Functional Theory of Atoms and Molecules, Oxford University Press, London, 1989.
2. [2] E.S. Kryachko, E.V. Ludeña, Energy Density Functional Theory of Many Electron Systems, Kluwer, Dordrecht, 1990.
3. [3] R.M. Drezler, E.K.U. Gross, Density Functional Theory, Springer-Berlag, Berlin, 1990.
4. [4] E.P. Wigner, Phys. Rev. 46 (1934) 1002.
5. [5] S. Liu, R.G. Parr, Phys. Rev. A 53 (1996) 2211.
6. [6] S. Liu, P. Süle, R. López-Boada, Á. Nagy, Chem. Phys. Lett. 257 (1996) 68.
7. [7] A. Gorling, M. Levy, Phys. Rev. B 47 (1993) 13105.
8. [8] S. Liu, R.G. Parr, Phys. Rev. A, in press.
9. [9] Y.A. Wang, S. Liu, R.G. Parr, Chem. Phys. Lett, in press.
10. [10] M. Levy, in: Advanced in Quantum Chemistry, S.B. Trickey (Ed.), Academic Press, San Diego, CA.
11. [11] M. Levy, J.P. Perdew, Phys. Rev. A 32 (1985) 2010.
12. [12] S.J. Chakravorty, S.R. Gwaltney, E.R. Davidson, F.A. Parpia, C.F. Fisher, Phys. Rev. A 47 (1993) 3629.
13. [13] E. Clementi, C. Roetti, At. Data Tables 14 (1974) 177.
14. [14] J. Kobus, L. Laaksonen, D. Sundholm, Comput. Phys. Commun. 98 (1996) 346.
15. [15] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, and J.A. Pople, Gaussian 94, Revision D.4, Gaussian, Pittsburgh PA, 1995.
16. [16] P. Süle, A. Nagy, Acta Phys. Chim. Debrecina 29 (1994) 1.
17. [17] P. Süle, O.V. Gritsenko, A. Nagy, E.J. Baerends, J. Chem. Phys. 103 (1995) 10085.
18. [18] R. López-Boada, E. Valderrama, Y. Aray, J. Mol. Struct. 330 (1995) 445.
19. [19] S. Liu, Phys. Rev. A 54 (1996) 4863.
20. [20] Y.A. Wang, Chem. Phys. Lett, submitted.
21. [21] M.K. Harbola, V. Sahni, Phys. Rev. Lett. 62 (1989) 489.
22. [22] B. Chen and J.B. Anderson, J. Chem. Phys. 102 (1995) 2802; 102(1995)4491.
23. [22] B. Chen and J.B. Anderson, J. Chem. Phys. 102 (1995) 2802; 102(1995)4491.
24. [23] T. Grabo, E.K.U. Gross, Chem. Phys. Lett. 240 (1995) 141.
25. [24] J.B. Krieger, Y. Li, G.J. Iafrate, Phys. Rev. A 47 (1993) 165, and references therein.
26. [25] C.J. Umrigar, X. Gonze, Phys. Rev. A 50 (1994) 3827.