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By Perdew J.P., Kurth S.

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J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986); ibid. 40, 3399 (1989) (E). 14. J. P. Perdew, Phys. Rev. B 33, 8822 (1986); ibid. 34, 7406 (1986) (E). 15. A. D. Becke, J. Chem. Phys. 84, 4524 (1986). 16. A. D. Becke, Phys. Rev. A 38, 3098 (1988). 17. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). 18. J. P. Perdew, in Electronic Structure of Solids ’91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991), p. 11. 19. J. P. Perdew, J. A. Chevary, S. H. Vosko, K.

J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986); ibid. 40, 3399 (1989) (E). 14. J. P. Perdew, Phys. Rev. B 33, 8822 (1986); ibid. 34, 7406 (1986) (E). 15. A. D. Becke, J. Chem. Phys. 84, 4524 (1986). 16. A. D. Becke, Phys. Rev. A 38, 3098 (1988). 17. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). 18. J. P. Perdew, in Electronic Structure of Solids ’91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991), p. 11. 19. J. P. Perdew, J. A. Chevary, S. H. Vosko, K.

On the 1 The method is sometimes also termed optimized effective potential (OEP). C. Fiolhais, F. Nogueira, M. ): LNP 620, pp. 56–122, 2003. c Springer-Verlag Berlin Heidelberg 2003 2 Orbital-Dependent Functionals 57 one hand, the simple functional form of the exact exchange and its universal applicability allows a quantitative examination of the KLI approximation for a variety of systems. In this way one can explicitly verify the high accuracy of the KLI approximation, which makes it an important tool for the application of orbital-dependent xc-functionals.

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Density functionals for non-relativistic Coulomb systems by Perdew J.P., Kurth S.


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