Calculation of the appearance-potential spectrum of YVO4 in the cluster approximation

V. I. Anisimov, E. Z. Kurmaev, V. A. Gubanov

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1 Citation (Scopus)

Abstract

Interpretation of the V L3 AP (appearance potential) spectrum of YVO4 is carried out on the basis of electronic structure calculations for the [VO4]3- cluster using the Xα-scattered-wave SCF method. The transition-state method has been used for the calculation of two-electron transition energies, forming the appearance-potential spectrum. It is shown that correct description of the AP spectrum can be obtained in the one-electron approximation.

Original languageEnglish
Pages (from-to)277-281
Number of pages5
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume22
Issue number3
DOIs
Publication statusPublished - 1981
Externally publishedYes

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