Electron states and bonding in titanium sulfide

Donald E Ellis*, A. Seth

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

11 Scopus citations

Abstract

The electronic structure of titanium sulfide is studied in a series of molecular orbital and band structure calculations using the first‐principles Hartree‐Fock‐Slater model. The results are correlated with optical data and with X‐ray emission and absorption, and compared with recent semiempirical tight binding models.

Original languageEnglish (US)
Pages (from-to)223-229
Number of pages7
JournalInternational Journal of Quantum Chemistry
Volume7
Issue number7 S
DOIs
StatePublished - Jan 1 1973

ASJC Scopus subject areas

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

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