Ramasesha, S and Das, Krishna (1987) Static Spin Correlations in Singlet States via Triplet Overlap Integrals. In: Chemical Physics Letters, 138 (5). pp. 462-464.
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An effcient method for the calculation of static spin-spin correlation matrix elements between singlet states is described. The method uses the property that the site spin operators $S_p^2$; converts a singlet diagram with a line through a site p into a triplet diagram with an arrow through the site p. The method can easily be extended to other spin states as well as to more than two spin correlations.This method would be valuable in cases where charge orthogonality of the VB diagrams alone cannot reduce the computations to a managable extent.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to Elsevier Science.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||01 Jul 2008|
|Last Modified:||19 Sep 2010 04:46|
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