First principles determination of the photoelectron spectrum of LiH-

Daniel T. Chang, K. Reimann, G. Surratt, Gregory I. Gellene, Ping Lin, Robert R. Lucchese

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

Abstract

An extensive first principles determination of the photoelectron spectrum of LiH- and LiD- was performed. As a result, a long-standing discrepancy between the experimentally determined and theoretically calculated values for ωe of LiH- was resolved by a reassignment of the hot band transition region of the photoelectron spectrum.

Original languageEnglish
Pages (from-to)5757-5763
Number of pages7
JournalJournal of Chemical Physics
Volume117
Issue number12
DOIs
StatePublished - Sep 22 2002

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