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Ab-initio calculation of exchange interactions in YMnO3

✍ Scribed by P. Novák; I. Chaplygin; G. Seifert; S. Gemming; R. Laskowski


Book ID
116375016
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
120 KB
Volume
44
Category
Article
ISSN
0927-0256

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It is demonstrated on the example of He2 that the W-I der \Vs& energy can b: ca!cullted quit? xcurately by the multistructure valence-bond method usin\_s n relatively simple "aEfec;ive excited sb!e" mode!. A simplified procedure for oprimiation of the excited stare orbita!s, bssed on ~vork by hfurre