SCVB method

The SCVB method can also be used to study the tt system of the allyl radical. As we have seen already, only one of the two standard tableaux ffinctions is required because of the symmetry of the molecule. We show the results in Table 10.4, where we see that one arrives at 85% of the correlation energy from the largest MCVB calculation in Table 10.2. There is no entry in Table 10.4 for the EGSO weight, since it would be 1, of course. 

M. Sironi, M. Raimondi, R. Martinazzo, F. A. Gianturco, in Valence Bond Theory, D. L. Cooper, Ed. Elsevier, Amsterdam, The Netherlands, 2002, pp. 261-277. Recent Developments of the SCVB Method. 

We have indicated the ability of spin-coupled valence bond (SCVB) calculations to provide compact, though accurate, nonorthogonal configuration interaction expansions for ground and excited states. These wavefunctions can be made even more compact using the SCVB method, which starts from direct... 

Cooper, Ed., Elsevier, Amsterdam, The Netherlands, 2002, pp. 261-277. Recent Developments of the SCVB Method. 

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