Effect of argon atoms on charge distributions in small lithium clusters

B. L. Grigorenko, A. V. Nemukhin, G. B. Sergeev, V. S. Stepanyuk, A. Szász

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

Charge distributions in lithium clusters Lin (n=3,4,5) embedded into a matrix of argon atoms have been computed by means of a combined Hartree-Fock and density-functional-theory approach. The positions of the argon atoms, found using molecular-dynamics techniques, points to the origins of pseudopotential locations. We show that charge alterations in Lin may be as high as 0.2e, reflecting local changes in the environment.

Original languageEnglish
Pages (from-to)18666-18669
Number of pages4
JournalPhysical Review B
Volume50
Issue number24
DOIs
Publication statusPublished - 1994

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Argon
Charge distribution
Lithium
charge distribution
lithium
argon
Atoms
pseudopotentials
Density functional theory
atoms
Molecular dynamics
molecular dynamics
density functional theory
matrices

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Grigorenko, B. L., Nemukhin, A. V., Sergeev, G. B., Stepanyuk, V. S., & Szász, A. (1994). Effect of argon atoms on charge distributions in small lithium clusters. Physical Review B, 50(24), 18666-18669. https://doi.org/10.1103/PhysRevB.50.18666

Effect of argon atoms on charge distributions in small lithium clusters. / Grigorenko, B. L.; Nemukhin, A. V.; Sergeev, G. B.; Stepanyuk, V. S.; Szász, A.

In: Physical Review B, Vol. 50, No. 24, 1994, p. 18666-18669.

Research output: Contribution to journalArticle

Grigorenko, BL, Nemukhin, AV, Sergeev, GB, Stepanyuk, VS & Szász, A 1994, 'Effect of argon atoms on charge distributions in small lithium clusters', Physical Review B, vol. 50, no. 24, pp. 18666-18669. https://doi.org/10.1103/PhysRevB.50.18666
Grigorenko, B. L. ; Nemukhin, A. V. ; Sergeev, G. B. ; Stepanyuk, V. S. ; Szász, A. / Effect of argon atoms on charge distributions in small lithium clusters. In: Physical Review B. 1994 ; Vol. 50, No. 24. pp. 18666-18669.
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