Effects of a partial relaxation of the crystal lattice on the calculation of the electronic structure of CrF3−6 in ‘‘isolated‐cluster’’ and ‘‘shared‐cluster’’ crystals-Reference-Cited by-同舟云学术

Effects of a partial relaxation of the crystal lattice on the calculation of the electronic structure of CrF3−6 in ‘‘isolated‐cluster’’ and ‘‘shared‐cluster’’ crystals

Published:1983-08-15 Issue:4 Volume:79 Page:1926-1932
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Barandiarán Z.,Pueyo L.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.445971

Reference17 articles.

1. Optical spectrum of Cr3+in octahedral fluoride lattices: Refinements on an open‐shell SCF MO calculation

2. Optical spectrum of Cr3+in octahedral fluoride lattices: Refinements on an open‐shell SCF MO calculation

3. Optical spectrum of Cr3+in octahedral fluoride lattices: Refinements on an open‐shell SCF MO calculation

4. Optical spectrum of Cr3+in octahedral fluoride lattices: Refinements on an open‐shell SCF MO calculation

5. Self-Consistent Madelung Potential for the Cluster Calculation of Partially Ionic Solids –Application to ReO3–

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