Immersion of an inert-gas atom or H2 molecule into jellium: Modified electron-gas approach

G. Ihm, Milton W. Cole

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

The immersion energy of an inert-gas atom or H2 molecule into jellium is calculated using an electron-gas approximation. Our modification of the energy functional of Gordon and Kim [J. Chem. Phys. 56, 3122 (1972)] includes a correction to remove the self-exchange term from the exchange energy and adjustments to take into account the nonuniformity of the system. The calculated ratio of the immersion energy to the jellium density varies about a factor of 2 over five orders of magnitude variation in jellium density and agrees relatively well (within a factor of 2) with the result of previous density-functional approaches in the low-density limit; the Gordon-Kim model is not reliable, however.

Original languageEnglish (US)
Pages (from-to)1153-1156
Number of pages4
JournalPhysical Review A
Volume40
Issue number3
DOIs
StatePublished - Jan 1 1989

Fingerprint

submerging
electron gas
rare gases
atoms
molecules
nonuniformity
energy
adjusting
energy transfer
approximation

All Science Journal Classification (ASJC) codes

  • Atomic and Molecular Physics, and Optics

Cite this

Ihm, G. ; Cole, Milton W. / Immersion of an inert-gas atom or H2 molecule into jellium : Modified electron-gas approach. In: Physical Review A. 1989 ; Vol. 40, No. 3. pp. 1153-1156.
@article{88a7ab061edd4ace8154b7a620e85ea4,
title = "Immersion of an inert-gas atom or H2 molecule into jellium: Modified electron-gas approach",
abstract = "The immersion energy of an inert-gas atom or H2 molecule into jellium is calculated using an electron-gas approximation. Our modification of the energy functional of Gordon and Kim [J. Chem. Phys. 56, 3122 (1972)] includes a correction to remove the self-exchange term from the exchange energy and adjustments to take into account the nonuniformity of the system. The calculated ratio of the immersion energy to the jellium density varies about a factor of 2 over five orders of magnitude variation in jellium density and agrees relatively well (within a factor of 2) with the result of previous density-functional approaches in the low-density limit; the Gordon-Kim model is not reliable, however.",
author = "G. Ihm and Cole, {Milton W.}",
year = "1989",
month = "1",
day = "1",
doi = "10.1103/PhysRevA.40.1153",
language = "English (US)",
volume = "40",
pages = "1153--1156",
journal = "Physical Review A",
issn = "2469-9926",
publisher = "American Physical Society",
number = "3",

}

Immersion of an inert-gas atom or H2 molecule into jellium : Modified electron-gas approach. / Ihm, G.; Cole, Milton W.

In: Physical Review A, Vol. 40, No. 3, 01.01.1989, p. 1153-1156.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Immersion of an inert-gas atom or H2 molecule into jellium

T2 - Modified electron-gas approach

AU - Ihm, G.

AU - Cole, Milton W.

PY - 1989/1/1

Y1 - 1989/1/1

N2 - The immersion energy of an inert-gas atom or H2 molecule into jellium is calculated using an electron-gas approximation. Our modification of the energy functional of Gordon and Kim [J. Chem. Phys. 56, 3122 (1972)] includes a correction to remove the self-exchange term from the exchange energy and adjustments to take into account the nonuniformity of the system. The calculated ratio of the immersion energy to the jellium density varies about a factor of 2 over five orders of magnitude variation in jellium density and agrees relatively well (within a factor of 2) with the result of previous density-functional approaches in the low-density limit; the Gordon-Kim model is not reliable, however.

AB - The immersion energy of an inert-gas atom or H2 molecule into jellium is calculated using an electron-gas approximation. Our modification of the energy functional of Gordon and Kim [J. Chem. Phys. 56, 3122 (1972)] includes a correction to remove the self-exchange term from the exchange energy and adjustments to take into account the nonuniformity of the system. The calculated ratio of the immersion energy to the jellium density varies about a factor of 2 over five orders of magnitude variation in jellium density and agrees relatively well (within a factor of 2) with the result of previous density-functional approaches in the low-density limit; the Gordon-Kim model is not reliable, however.

UR - http://www.scopus.com/inward/record.url?scp=0344768832&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0344768832&partnerID=8YFLogxK

U2 - 10.1103/PhysRevA.40.1153

DO - 10.1103/PhysRevA.40.1153

M3 - Article

AN - SCOPUS:0344768832

VL - 40

SP - 1153

EP - 1156

JO - Physical Review A

JF - Physical Review A

SN - 2469-9926

IS - 3

ER -