ABSTRACT:The classical theory of chemical valence, first, is naturally formalized in mathematics in the area of graph theory and, second, finds an extension in quantum Ž . mechanics in terms of the Heitler᎐London᎐Pauling '' valence-bond'' VB theory. Thus, VB theory stands in a fairly unique position, although in quantum chemistry, there often Ž . has been a preference for the alternative perhaps even ''complementary'' molecular Ž . orbital MO theory, presumably in large part because of computational efficacy for general molecular structures. Indeed, as formulated by Pauling and others, VB theory Ž . was described as a configuration interaction CI problem when there were multiple relevant classical valence structures for the same molecular structure. Also, as now recognized, a direct assault on CI is computationally intensive, prone to size-inconsistency problems, and effectively limited to smaller systems-whereas indirect approaches, e.g., via wave-function cluster expansions or renormalization-group theory, often neatly avoid Ž . these problems. Thus, what is and perhaps always has been needed is ''many-body'' Ž . schemes for VB computations as well as for higher-order MO-based approaches, too . Here, then, certain such many-body VB-amenable computational schemes are to be Ž . discussed, in the context of semiempirical explicitly correlated graphical models. The collection of models are described and interrelated in a fairly comprehensive systematic manner. A selection of many-body cluster expansion methods are then discussed with special reference to resonating VB wave functions and the fundamental graph-theoretic Ž nature of the consequent problems such as also are noted to arise in lattice-discretized . statistical-mechanical problems, too . Some examples are described incorporating resonance among exponentially great numbers of VB structures as applied: for large Ž . icosahedral-symmetry fullerenic structures, for the polyacetylenic linear chain, and for ladderlike conjugated polymers. It is contended that practicable many-body VB-theoretic methods are now available, retaining clear links to classical chemical valence theory. Hopefully, too, these methods may soon find use beyond the semi-empirical framework.