Electronic structures of d0 complexes by the DV-Xα method

T. Mukoyama, Hirohiko Adachi

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The electronic structures of TcO-4, RuO4, ReO-4 and OsO4 have been studied using the discrete-variational Xα molecular orbital method. The calculated ordering and the ionization potentials of the valence orbitals are compared with the experimental results.

Original languageEnglish
Pages (from-to)93-96
Number of pages4
JournalChemical Physics Letters
Volume215
Issue number1-3
DOIs
Publication statusPublished - Nov 26 1993

Fingerprint

Ionization potential
Molecular orbitals
ionization potentials
Electronic structure
molecular orbitals
electronic structure
valence
orbitals

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Electronic structures of d0 complexes by the DV-Xα method. / Mukoyama, T.; Adachi, Hirohiko.

In: Chemical Physics Letters, Vol. 215, No. 1-3, 26.11.1993, p. 93-96.

Research output: Contribution to journalArticle

Mukoyama, T. ; Adachi, Hirohiko. / Electronic structures of d0 complexes by the DV-Xα method. In: Chemical Physics Letters. 1993 ; Vol. 215, No. 1-3. pp. 93-96.
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