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Kinetic energy density study of some representative semilocal kinetic energy functionals

✍ Scribed by García-Aldea, David; Alvarellos, J. E.


Book ID
120331741
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
626 KB
Volume
127
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES


Kinetic contribution to the correlation
✍ Péter Süle 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 677 KB

Since in density functional theory the classical form of the virial theorem does not hold due to the localization effect of exchange-correlation, it is important to investigate the kinetic contribution to correlation. Nearly exact tc([n]; r) kinetic contributions to the correlation energy densities