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Accurate ab initio determination of magnetic interactions and hopping integrals in La2-xSrxCuO4 systems

 

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Opened Access Accurate ab initio determination of magnetic interactions and hopping integrals in La2-xSrxCuO4 systems
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Author: Calzado, C.J.
Fernández Sanz, Javier
Malrieu, J.P.
Department: Universidad de Sevilla. Departamento de Química Física
Date: 2000
Published in: Journal of Chemical Physics, 112 (11), 5158-5167.
Document type: Article
Abstract: The nature of magnetic interactions and electron transfer processes in La22xSrxCuO4 systems are studied, by means of an ab initio embedded cluster model approach, using a difference dedicated configuration interaction ~DDCI! procedure. For the und...
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Cite: Calzado, C.J., Fernández Sanz, J. y Malrieu, J.P. (2000). Accurate ab initio determination of magnetic interactions and hopping integrals in La2-xSrxCuO4 systems. Journal of Chemical Physics, 112 (11), 5158-5167.
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URI: http://hdl.handle.net/11441/48339

DOI: 10.1063/1.481093

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