Method and program for magnetic susceptibility calculation of a system of clusters composed of exchange-interacting paramagnetic species including the anisotropy of g-factor and zero-field splittings

S. A. Malinovskaya, P. V. Schastnev

Research output: Contribution to journalArticlepeer-review

Abstract

The calculation model is based on the approximation of linear response to magnetic and molecular fields, and on susceptibility calculations using the perturbation theory. The program calculates the magnetic susceptibility tensors of the clusters composed of species with spins 1/2, and 1 whose number is limited by computer capabilities. The optimization procedure permits determination of Heisenberg exchange interaction parameters, as well as of optional parameters, from the analysis of the temperature dependence of magnetic susceptibility. Examples are considered to illustrate the effect of the onisotropy of zero-field splitting and g-tensors.

Original languageEnglish
Pages (from-to)394-397
Number of pages4
JournalJournal of Structural Chemistry
Volume34
Issue number3
DOIs
StatePublished - May 1993

Fingerprint

Dive into the research topics of 'Method and program for magnetic susceptibility calculation of a system of clusters composed of exchange-interacting paramagnetic species including the anisotropy of g-factor and zero-field splittings'. Together they form a unique fingerprint.

Cite this