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Strong Correlation in Kohn-Sham Density Functional Theory

โœ Scribed by Malet, Francesc; Gori-Giorgi, Paola


Book ID
118124396
Publisher
The American Physical Society
Year
2012
Tongue
English
Weight
376 KB
Volume
109
Category
Article
ISSN
0031-9007

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A general procedure is presented for obtaining the ~.an of exchange-correlation potentials arising from semilocal electron density functionals. "me procedure is implemented as a Mathematica program, which can be used to obtain functional deri~ati~:es both in t~rms ,~f the density and its gradients,