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LFP: A PC-program for ligand-field analysis of 3d(n) ions in Oh and lower symmetries
1Department of Chemistry, University of Podlasie, Siedlce, Poland. kkurzak@ap.siedlce.pl
Computers & Chemistry
|May 18, 2000
Abstract:
A modular and efficient version of PC program for calculating ligand-field parameters, i.e. crystal-field model (CFM) and angular overlap model (AOM) is presented. The LFP program is designed to calculate the ligand-field parameters of low symmetry transition metal complexes. It is based on the general method for the analysis of central ion states distortion using group theory. The program has not closed form. It will be extended, according to spectroscopic studies in our laboratory. It is written in FORTRAN language.