Modern valence bond theoryとは 意味・読み方・使い方

Modern valence bond theory is the term used to describe applications of valence bond theory with computer programs that are competitive in accuracy and economy with programs for the Hartree-Fock method and other molecular orbital based methods. The latter methods dominated quantum chemistry from the advent of digital computers because they were easier to program. The early popularity of valence bond methods thus declined. It is only recently that the programming of valence bond methods has improved. These developments are due to and described by Gerratt, Cooper, Karadakov and Raimondi (1997); Li and McWeeny (2002); Song, Mo, Zhang and Wu (2005); and Shaik and Hiberty (2004).