Construction of the adiabatic connection

Chemical Physics Letters

Volumn 263, Issue 3-4, 1996, Pages 499-506

  Ernzerhof, Matthias ^a  

^a TULANE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030582805     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(96)01225-0     Document Type: Article

References (38)

1. [1] A.D. Becke, J. Chem. Phys. 104 (1996) 1040.
2. [2] A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
3. [3] A.D. Becke, J. Chem. Phys. 98 (1993) 1372.
4. [4] A. Görling and M. Levy, unpublished.
5. [5] M. Ernzerhof, J.P. Perdew and K. Burke, Int. J. Quantum Chem. Symp., accepted for publication.
6. [6] J.P. Perdew, M. Ernzerhof and K. Burke, J. Chem. Phys., to be published.
7. [7] K. Burke, M. Ernzerhof and J.P. Perdew, submitted to Chem. Phys. Lett.
8. [8] W. Kohn and L.J. Sham, Phys. Rev. 140 (1965) A1133.
9. [9] J.P. Perdew and Y. Wang, Phys. Rev. B 33 (1986) 8800.
10. [10] J.P. Perdew, in: Electronic structure of solids 91, eds. P. Ziesche and H. Eschrig (Akademie Verlag, Berlin (1991).
11. [11] J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh and C. Fiolhais, Phys. Rev. B 46 (1992) 6671; 48 (1993) 4978 (E).
12. [11] J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh and C. Fiolhais, Phys. Rev. B 46 (1992) 6671; 48 (1993) 4978 (E).
13. [12] J.P. Perdew, K. Burke and Y. Wang, Phys. Rev. B, accepted for publication.
14. [13] M. Ernzerhof, K. Burke and J.P. Perdew, in: Recent developments in density functional theory, ed. J.M. Seminario (Elsevier, Amsterdam. 1997), to be published.
15. [14] V. Tschinke and T. Ziegler, J. Chem. Phys. 93 (1990) 8051.
16. [15] J.P. Perdew, A. Savin and K. Burke, Phys. Rev. A 51 (1995) 4531.
17. [16] J.P. Perdew, M. Ernzerhof, K. Burke and A. Savin, Int. J. Quantum Chem. Symp., to appear.
18. [17] C.W. Murray, N.C. Handy and R.D. Amos, J. Chem. Phys. 98 (1993) 7145.
19. [18] E.H. Lieb and S. Oxford, Int. J. Quantum Chem. 19 (1981) 427.
20. [19] M. Levy and J.P. Perdew, Phys. Rev. B 48 (1993) 11638.
21. [20] D.C. Langreth and J.P. Perdew, Solid State Commun. 17 (1975) 1425.
22. [21] D.C. Langreth and J.P. Perdew, Phys. Rev. B 15 (1977) 2884.
23. [22] O. Gunnarsson and B.I. Lundqvist, Phys. Rev. B 13 (1976) 4274.
24. [23] M. Levy and J.P. Perdew, Phys. Rev. A 32 (1985) 2010.
25. [24] M. Levy, N.H. March and N.C. Handy J. Chem. Phys. 104 (1996) 1989.
26. [25] A. Görling and M. Levy, Phys. Rev. B 47 (1993) 13105.
27. [26] M. Ernzerhof, J.P. Perdew and K. Burke, in: Density functional theory, ed. R. Nalewajski (Springer, Berlin, 1996).
28. [27] A. Görling and M. Levy, Phys. Rev. A 50 (1994) 196.
29. [28] G.A. Baker, Essentials of Padé approximants, (Academic Press, New York, 1975).
30. [29] D.J. Tozer, J. Chem. Phys. 104 (1996) 4166.
31. [30] J. Jenderek and C.M. Marian. Theor. Chim. Acta 88 (1994) 13.
32. [31] CADPAC6: The Cambridge Analytical Derivatives Package Issue 6.0 Cambridge (1995) A suite for quantum chemistry programs developed by, R.D. Amos, with contributions from I.L. Alberts, J.S. Andrews, S.M. Colwell, N.C. Handy, D. Jayatilaka, P.J. Knowles, R. Kobayashi, G.J. Laming, A.M. Lee, P.E. Moslan, C.W. Murray, P. Palmieri, J.E. Rice, E.D. Simandiras, A.J. Stone, M.-D. Su and D.J. Tozer.
33. [32] F.W. Kutzler and G.S. Painter, Phys. Rev. Lett. 59 (1987) 1285.
34. 2: K.P. Huber and G. Herzberg, Molecular spectra and molecular structure, Vol. IV. Constants of diatomic molecules (Van Nostrand Reinhold, New York, 1979).
35. 2: K.P. Huber and G. Herzberg, Molecular spectra and molecular structure, Vol. IV. Constants of diatomic molecules (Van Nostrand Reinhold, New York, 1979).
36. 2: K.P. Huber and G. Herzberg, Molecular spectra and molecular structure, Vol. IV. Constants of diatomic molecules (Van Nostrand Reinhold, New York, 1979).
37. 2: K.P. Huber and G. Herzberg, Molecular spectra and molecular structure, Vol. IV. Constants of diatomic molecules (Van Nostrand Reinhold, New York, 1979).
38. 2 see Ref. [33].