Angular aspects of electron correlation and the Coulomb hole. II. The 2 1S and the 2 3S excited states of helium

J. M. Ugalde, Russell J. Boyd, John S. Perkyns

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The K-L intershell correlation effects for both singlet and triplet states arising from the 1s2s electronic configuration of the helium atom are analyzed in detail with the aid of the complete (nonreduced) interelectronic probability density and the local Coulomb hole functions. The calculations for both singlet and triplet states suggest the existence of nuclear Coulomb well channels similar to those recently described for the intrashell case of Berry and Krause. When the reference electron is close to the nucleus, the 2 1S Coulomb hole resembles the ground state Coulomb hole, whereas this feature is lost in the 2 3S state due to the effect of exchange correlation. Electron correlation is shown to reduce the nuclear shielding provided by the K-shell distribution and, as a consequence, to lead to a relative shrinking of the outer shell density. Other differences between the ground state and excited state correlation effects are described.

Original languageEnglish (US)
Pages (from-to)1216-1219
Number of pages4
JournalThe Journal of Chemical Physics
Volume87
Issue number2
StatePublished - 1987
Externally publishedYes

Fingerprint

Electron correlations
Helium
Excited states
Ground state
helium
Shielding
atomic energy levels
excitation
electrons
Atoms
radiation shielding
ground state
Electrons
helium atoms
nuclei
configurations
electronics

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Angular aspects of electron correlation and the Coulomb hole. II. The 2 1S and the 2 3S excited states of helium. / Ugalde, J. M.; Boyd, Russell J.; Perkyns, John S.

In: The Journal of Chemical Physics, Vol. 87, No. 2, 1987, p. 1216-1219.

Research output: Contribution to journalArticle

Ugalde, J. M. ; Boyd, Russell J. ; Perkyns, John S. / Angular aspects of electron correlation and the Coulomb hole. II. The 2 1S and the 2 3S excited states of helium. In: The Journal of Chemical Physics. 1987 ; Vol. 87, No. 2. pp. 1216-1219.
@article{2288c43025684d648e9603235d8016e4,
title = "Angular aspects of electron correlation and the Coulomb hole. II. The 2 1S and the 2 3S excited states of helium",
abstract = "The K-L intershell correlation effects for both singlet and triplet states arising from the 1s2s electronic configuration of the helium atom are analyzed in detail with the aid of the complete (nonreduced) interelectronic probability density and the local Coulomb hole functions. The calculations for both singlet and triplet states suggest the existence of nuclear Coulomb well channels similar to those recently described for the intrashell case of Berry and Krause. When the reference electron is close to the nucleus, the 2 1S Coulomb hole resembles the ground state Coulomb hole, whereas this feature is lost in the 2 3S state due to the effect of exchange correlation. Electron correlation is shown to reduce the nuclear shielding provided by the K-shell distribution and, as a consequence, to lead to a relative shrinking of the outer shell density. Other differences between the ground state and excited state correlation effects are described.",
author = "Ugalde, {J. M.} and Boyd, {Russell J.} and Perkyns, {John S.}",
year = "1987",
language = "English (US)",
volume = "87",
pages = "1216--1219",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "2",

}

TY - JOUR

T1 - Angular aspects of electron correlation and the Coulomb hole. II. The 2 1S and the 2 3S excited states of helium

AU - Ugalde, J. M.

AU - Boyd, Russell J.

AU - Perkyns, John S.

PY - 1987

Y1 - 1987

N2 - The K-L intershell correlation effects for both singlet and triplet states arising from the 1s2s electronic configuration of the helium atom are analyzed in detail with the aid of the complete (nonreduced) interelectronic probability density and the local Coulomb hole functions. The calculations for both singlet and triplet states suggest the existence of nuclear Coulomb well channels similar to those recently described for the intrashell case of Berry and Krause. When the reference electron is close to the nucleus, the 2 1S Coulomb hole resembles the ground state Coulomb hole, whereas this feature is lost in the 2 3S state due to the effect of exchange correlation. Electron correlation is shown to reduce the nuclear shielding provided by the K-shell distribution and, as a consequence, to lead to a relative shrinking of the outer shell density. Other differences between the ground state and excited state correlation effects are described.

AB - The K-L intershell correlation effects for both singlet and triplet states arising from the 1s2s electronic configuration of the helium atom are analyzed in detail with the aid of the complete (nonreduced) interelectronic probability density and the local Coulomb hole functions. The calculations for both singlet and triplet states suggest the existence of nuclear Coulomb well channels similar to those recently described for the intrashell case of Berry and Krause. When the reference electron is close to the nucleus, the 2 1S Coulomb hole resembles the ground state Coulomb hole, whereas this feature is lost in the 2 3S state due to the effect of exchange correlation. Electron correlation is shown to reduce the nuclear shielding provided by the K-shell distribution and, as a consequence, to lead to a relative shrinking of the outer shell density. Other differences between the ground state and excited state correlation effects are described.

UR - http://www.scopus.com/inward/record.url?scp=3843099427&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=3843099427&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:3843099427

VL - 87

SP - 1216

EP - 1219

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 2

ER -