Self‐Consistent‐Field Study of the Series XeFn, n = 2, 4, 6

Harold Basch, J. W. Moskowitz, C. Hollister, D. Hankin

Research output: Contribution to journalArticlepeer-review

77 Scopus citations

Abstract

An ab initio self‐consistent‐field computation has been performed on the series XeF2, XeF4, and XeF6 in a basis of contracted Gaussian functions. The charge distribution, photoelectron and optical spectrum, and one‐electron properties are discussed and compared with available experimental results.

Original languageEnglish
Pages (from-to)1922-1933
Number of pages12
JournalJournal of Chemical Physics
Volume55
Issue number4
DOIs
StatePublished - 15 Aug 1971
Externally publishedYes

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