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

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

doi:10.1002/(SICI)1097-461X(1996)58:2<161::AID-QUA5>3.0.CO;2-W

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

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

Chemistry

Research output: Contribution to journal › Article › peer-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 language	English (US)
Pages (from-to)	161-173
Number of pages	13
Journal	International Journal of Quantum Chemistry
Volume	58
Issue number	2
DOIs	https://doi.org/10.1002/(SICI)1097-461X(1996)58:2<161::AID-QUA5>3.0.CO;2-W
State	Published - 1996

ASJC Scopus subject areas

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

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10.1002/(SICI)1097-461X(1996)58:2<161::AID-QUA5>3.0.CO;2-W

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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.",

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AB - 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.

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