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The ab initio model potential representation of the crystalline environment. Theoretical study of the local distortion on NaCl:Cu+

Author
Barandiarán, Zoila; Seijo, Luis
Publisher
American Institute of Physics
Date
1988
Citation
10.1063/1.455549
Journal of Chemical Physics 89.9 (1988): 5739-5746
 
 
 
ISSN
0021-9606
DOI
10.1063/1.455549
Editor's Version
http://dx.doi.org/10.1063/1.455549
Subjects
Espectroscopía; Química cuántica; Química cuántica
URI
http://hdl.handle.net/10486/7325
Rights
Copyright (1988) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article prepared in (Barandiarán, Z. and L. Seijo. "The ab initio model potential representation of the crystalline environment. Theoretical study of the local distortion on NaCl:Cu+." Journal of Chemical Physics 89.9 (1988): 5739-5746) and may be found at http://jcp.aip.org/resource/1/jcpsa6/v89/i9/p5739_s1
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This item appears in the following Collection(s)

  • Producción científica en acceso abierto de la UAM [14744]

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    López Moraza, Sara; Seijo, Luis; Barandiarán, Zoila
    1998
  • Ab initio model-potential embedded-cluster study of Jahn-Teller parameters and electronic transition energies of Cr2+ in oxide and fluoride octahedral coordination 

    Pascual, José Luis; Seijo, Luis; Barandiarán, Zoila
    1996
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