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Virial theorem and exact properties of density functionals for periodic systems

Mirhosseini, H. et al · American Physical Society · 2014

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Author / responsible party
Mirhosseini, H. et al
Publisher
American Physical Society
Year
2014
ISSN
0163-1829
ISSN
0163-1829
Language
English

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Summary

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In the framework of density functional theory, scaling and the virial theorem are essential tools for deriving the exact properties of density functionals. Preexisting mathematical difficulties in deriving the virial theorem via scaling for periodic systems are resolved via a particular scaling technique. This methodology is employed to derive universal properties of the exchange-correlation energy functional for periodic systems. Fil: Mirhosseini, H.. Max Planck Institute of Microstructure Physics; Alemania Fil: Cangi, A.. Max Planck Institute of Microstructure Physics; Alemania

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APA 7

Mirhosseini, H. E. A. (2014). Virial theorem and exact properties of density functionals for periodic systems. http://hdl.handle.net/11336/32910

MLA

Mirhosseini, H. et al. "Virial theorem and exact properties of density functionals for periodic systems." 2014. http://hdl.handle.net/11336/32910.

Chicago

Mirhosseini, H. et al. 2014. "Virial theorem and exact properties of density functionals for periodic systems.". http://hdl.handle.net/11336/32910.

Harvard

Mirhosseini, H. E. A. 2014, Virial theorem and exact properties of density functionals for periodic systems, American Physical Society, available at: http://hdl.handle.net/11336/32910 [Accessed 7 Aug. 2026].

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Title
Virial theorem and exact properties of density functionals for periodic systems
Author / contributors
Mirhosseini, H. et al
Publisher
American Physical Society
Publication year
2014
ISSN
0163-1829
ISSN
0163-1829
Language
English

Subjects

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Virial Theorem; Scaling; Dft; Periodic Systems; https://purl.org/becyt/ford/1.3; https://purl.org/becyt/ford/1
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