Literature DB >> 10329228

g-matrix based on configuration interaction and Stone's perturbation theory

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Abstract

Stone's formula, which has usually been applied to the calculation of the g-matrix, is based on a single-configuration treatment. Here a limited configuration interaction is included to obtain the expressions of the principal g values for an orbitally nondegenerate molecule with spin S = 12. Copyright 1999 Academic Press.

Year:  1999        PMID: 10329228     DOI: 10.1006/jmre.1999.1706

Source DB:  PubMed          Journal:  J Magn Reson        ISSN: 1090-7807            Impact factor:   2.229


  1 in total

1.  Comparative calculation of EPR spectral parameters in [Mo(V)OX4]-, [Mo(V)OX5]2-, and [Mo(V)OX4(H2O)]- complexes.

Authors:  Ryan G Hadt; Victor N Nemykin; Joseph G Olsen; Partha Basu
Journal:  Phys Chem Chem Phys       Date:  2009-09-30       Impact factor: 3.676

  1 in total

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