Cusp conditions for non-interacting kinetic energy density of the density functional theory

Zs Jánosfalvi, K. D. Sen, A. Nagy

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Cusp relations for the kinetic energy density are derived for the ground and excited states of atoms, ions or molecules. The two most frequently used kinetic energy density expressions imply different behaviour at the nuclei.

Original languageEnglish
Pages (from-to)1-6
Number of pages6
JournalPhysics Letters, Section A: General, Atomic and Solid State Physics
Volume344
Issue number1
DOIs
Publication statusPublished - Aug 29 2005

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cusps
flux density
kinetic energy
density functional theory
nuclei
ground state
excitation
atoms
molecules
ions

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Cusp conditions for non-interacting kinetic energy density of the density functional theory. / Jánosfalvi, Zs; Sen, K. D.; Nagy, A.

In: Physics Letters, Section A: General, Atomic and Solid State Physics, Vol. 344, No. 1, 29.08.2005, p. 1-6.

Research output: Contribution to journalArticle

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