GROUND-STATE MULTIPLICITIES AND D-D EXCITATIONS OF TRANSITION-METAL COMPLEXES BY EFFECTIVE HAMILTONIAN METHOD

Citation
Av. Soudackov et al., GROUND-STATE MULTIPLICITIES AND D-D EXCITATIONS OF TRANSITION-METAL COMPLEXES BY EFFECTIVE HAMILTONIAN METHOD, International journal of quantum chemistry, 58(2), 1996, pp. 161-173
Citations number
37
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
58
Issue
2
Year of publication
1996
Pages
161 - 173
Database
ISI
SICI code
0020-7608(1996)58:2<161:GMADEO>2.0.ZU;2-7
Abstract
Magnetic and optical properties of transition-metal complexes are gove rned by the ground state and the low-energy excitation spectrum of the d-shell of the central transition metal ion. These spectra are succes sfully fit to the crystal field theory. We present here an account of the effective Hamiltonian method recently developed to calculate the g round state and the excitations of the d-shells of transition-metal co mplexes and report the results of its application to some complexes of particular interest. (C) 1996 John Wiley & Sons, Inc.