Abstract
An exact expression for the exchange-correlation (xc) energy of density functional theory in terms of the one-particle Green’s function and the xc part of the self-energy is derived. An exact diagrammatic representation of the xc self-energy is given. Employing this representation, an approximate scheme to calculate the xc energy and the xc potential is proposed. This scheme can be viewed as an extension of the exchange-only optimized-effective-potential method to treat correlation in a systentatic manner.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
W. Kohn and L. Sham, Phys. Rev. 140, A1133 (1965).
R.G. Parr and W. YangDensity-Functional Theory of Atoms and Molecules(Oxford University Press, New York, 1989).
R.M. Dreizier and E.K.U. GrossDensity Functional Theory(Springer, Berlin, 1990).
. Density Functional Theory, Vol. B337 ofNATO ASI Series, edited by E.K.U. Gross and R.M. Dreizler (Plenum Press, New York, 1995).
A. Becke, Phys. Rev. A383098 (1988).
C. Lee, W. Yang, and R. Parr, Phys. Rev. B37785 (1988).
J. Perdew, inElectronic Structure of Solids ‘81edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991), p. 11.
J. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett.773865 (1996), ibid,781396 (1997)(E).
R. Sharp and G. Horton, Phys. Rev.90317 (1953).
J. Talman and W. Shadwick, Phys. Rev. A1436 (1976).
E. Engel, J. Chevary, L. Macdonald, and S. Vosko, Z. Phys. D237 (1992).
E. Engel and S. Vosko, Phys. Rev. A472800 (1993).
M. Norman and D. Koelling, Phys. Rev. B305530 (1984).
J. Krieger, Y. Li, and G. Iafrate, Phys. Rev. A45101 (1992).
J. Krieger, Y. Li, and G. Iafrate, Phys. Rev. A465453 (1992).
T. Grabo and E.K.U. Gross, Chem. Phys. Lett.240141 (1995), ibid,241635 (1995)(E).
T. Grabo, T. Kreibich, S. Kurth, and E.K.U. Gross, inThe Strong Coulomb Correlations and Electronic Structure Calculations: Beyond Local Density Approximationsedited by V. Anisimov (Gordon and Breach, Amsterdam), to appear.
A. Görling and M. Levy, Phys. Rev. B4713105 (1993).
A. Görling and M. Levy, Phys. Rev. A50196 (1994).
M. Casida, Phys. Rev. A512005 (1995).
L. Sham and M. Schlüter, Phys. Rev. Lett.511888 (1983).
L. Sham, Phys. Rev. B323876 (1985).
J. Luttinger and J. Ward, Phys. Rev.1181417 (1960).
E.K.U. Gross, E. Runge, and O. HeinonenMany-Particle Theory(Adam Hilger, Bristol, 1991).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1999 Springer Science+Business Media New York
About this chapter
Cite this chapter
Kurth, S. (1999). Towards New Approximations for The Exchange-Correlation Functional Using Many-Body Perturbation Theory. In: Gonis, A., Kioussis, N., Ciftan, M. (eds) Electron Correlations and Materials Properties. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-4715-0_29
Download citation
DOI: https://doi.org/10.1007/978-1-4615-4715-0_29
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4613-7136-6
Online ISBN: 978-1-4615-4715-0
eBook Packages: Springer Book Archive