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In defense of the Hohenberg–Kohn theorem and density functional theory

✍ Scribed by M. Levy; J. P. Perdew


Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
209 KB
Volume
21
Category
Article
ISSN
0020-7608

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Generation of functional derivatives in
✍ Patrick J̈emmer; Peter J Knowles 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 296 KB

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,