DOI: 10.1063/1.449656. Study of the kinetic energy density functional in the locally linear potential approximation

Study of the kinetic energy density functional in the locally linear potential approximation

10.1063/1.449656

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A kinetic energy density functional based on a locally linearized approximation for the potential has been investigated through calculation using accurate Hartree–Fock densities for several atoms. The integrated and the local values of this kinetic energy density as well as the local behavior of its functional derivative are compared with corresponding quantities for Hartree–Fock and other existing kinetic energy functionals including a newly suggested one. With an N-dependent correction factor, this functional shows better agreement.

Bibliography

Ghosh, S. K., & BalbÃ¡s, L. C. (1985). Study of the kinetic energy density functional in the locally linear potential approximation. The Journal of Chemical Physics, 83(11), 5778â5783.

Authors 2

Swapan K. Ghosh (first)
Luis C. Balbás (additional)

References 48 Referenced 46

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 9:08 a.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 11:09 p.m.)
Indexed	1 month, 3 weeks ago (July 2, 2025, 1:11 p.m.)
Issued	39 years, 8 months ago (Dec. 1, 1985)
Published	39 years, 8 months ago (Dec. 1, 1985)
Published Print	39 years, 8 months ago (Dec. 1, 1985)

Funders 0

None

BibTeX

@article{Ghosh_1985, title={Study of the kinetic energy density functional in the locally linear potential approximation}, volume={83}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.449656}, DOI={10.1063/1.449656}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Ghosh, Swapan K. and Balbás, Luis C.}, year={1985}, month=dec, pages={5778–5783} }

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