Ground-state multiplicities and d-d excitations of transition-metal complexes by effective Hamiltonian method

A. V. Soudackov, A. L. Tchougréeff, I. A. Misurkin

Research output: Contribution to journalArticlepeer-review

Abstract

Magnetic and optical properties of transition-metal complexes are governed by the ground state and the low-energy excitation spectrum of the d-shell of the central transition metal ion. These spectra are successfully fit to the crystal field theory. We present here an account of the effective Hamiltonian method recently developed to calculate the ground state and the excitations of the d-shells of transition-metal complexes and report the results of its application to some complexes of particular interest.

Original languageEnglish (US)
Pages (from-to)161-173
Number of pages13
JournalInternational Journal of Quantum Chemistry
Volume58
Issue number2
DOIs
StatePublished - 1996

ASJC Scopus subject areas

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

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