Symmetry in Molecules

摘要: This article reviews and illustrates our understanding of the interplay between group theory atomic molecular electronic structure. It begins by demonstrating how quest for already emerged from classical chemistry crystallography nineteenth century, goes on to describe geometrical dynamical symmetries met in quantum mechanical one-electron problem. Next, detailed attention is paid atoms molecules with two or more electrons hence permutation symmetry induced indistinguis-hability electrons. Many-electron wave functions must span antisymmetric representation group, problem constructing such considered various angles. Thus, contact made modern methods determining many-electron large scale computations. The addresses itself student who has but little knowledge theory, it also includes a brief discussion representations.