Generalized population analysis of three‐center two‐electron bonding

Modern valence bond theory, in its spin‐coupled (SC) form, is used to assess the utility of generalized population analysis, using correlated density matrices, for identifying patterns of three‐center two‐electron bonding in B₂H₆, B₃H, and CH₂Li₂. The effect on the relevant three‐center indices of including electron correlation, via the SC method, is assessed by means of comparison with analogous Hartree–Fock values. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004