Density functionals from LDA to GGA

For ab initio calculations in quantum chemistry, materials science, biochemistry, and nanoelectronics, the Kohn–Sham density functional theory is a widely used method to solve the ground-state many-electron problem. Density functional theory requires approximations for the exchange–correlation (xc)...

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Bibliographic Details

Published in:	Computational materials science Vol. 11; no. 2; pp. 122 - 127
Main Authors:	Ziesche, Paul, Kurth, Stefan, Perdew, John P.
Format:	Journal Article Conference Proceeding
Language:	English
Published:	Amsterdam Elsevier B.V 01.04.1998 Elsevier Science
Subjects:	Algorithms for functional approximation Exact sciences and technology Mathematical methods in physics Numerical approximation and analysis Physics Ground states Theoretical study Density functional method N-body problems Local spin density approximation Ab initio calculations Non empirical method Exchange interactions Local density approximation Electron gas
ISSN:	0927-0256, 1879-0801
Online Access:	Get full text
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