Ab Initio Computational Method for Classical Valence Bond Theory


In modern quantum chemistry, valence bond (VB) theory and molecular orbital (MO) theory are the two general theoretical approaches for chemical bonding. VB theory provides clear interpretation and chemical insights by employing covalent and ionic VB structures explicitly. This review focuses on the methodology development of the current modern classical VB methods in the improvement of computational accuracy and the extension of application areas. Moreover, the further development of modern classical VB methods is briefly prospected

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Xiamen University Institutional Repository

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oaioai:dspace.xmu.edu.cn:2288/15245Last time updated on 6/16/2016

This paper was published in Xiamen University Institutional Repository.

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