Remarks on the Proper Use of the Broken Symmetry Approach to Magnetic Coupling
作者： R. Caballol , O. Castell , F. Illas , I. de P. R. Moreira , J. P. Malrieu
DOI: 10.1021/JP9711757
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摘要: … In this work, the effect of nonorthogonality in the broken symmetry approach to magnetic coupling has been explicitly considered for the first time. On the basis of the results for three …
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