The Biorthogonal Valence Bond Method

Department of Chemistry, University of Manchester, Oxford Road, Manchester Ml3 9PL, United Kingdom 

In the next section we review some of the theoretical and practical details of the BOVB method. In particular we consider means by which much larger calculations may be attempted. In section 3, we present some illustrative calculations to expose the properties of BOVB wavefunctions and familiarize the reader with the BOVB description of electronic structure. This is followed by a description of some recent calculations on the pseudohalide acid HCS2N3 and a large diphosphaallene radical anion. We conclude by summarizing the strengths and weaknesses of the BOVB method as a general quantum chemical tool and suggest areas for future development. 

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J. J. W. McDouall, in Valence Bond Theory, D. L. Cooper, Ed., Elsevier, Amsterdam, The Netherlands, 2002, pp. 227-260. The Biorthogonal Valence Bond Method. 

Other multiconfiguration VB methods have also been devised, like the biorthogonal valence bond method of McDouall (35,36) or the spin-free approach of McWeeny (37). For an overview of these methods, the reader is advised to consult a recent review (1). 

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