Non-adiabatic crossing of energy levels

作者：Clarence Zener · 发表于：Proceedings of the Royal Society of London Series A Containing Papers of a Mathematical and Physical Character · 年份：1932 · DOI：10.1098/rspa.1932.0165 · 被引用次数：4608 · 研究领域：Molecular Junctions and Nanostructures、Advanced Physical and Chemical Molecular Interactions、Advanced Chemical Physics Studies

Abstract The crossing of energy levels has been a matter of considerable discussion. The essential features may be illustrated in the crossing of a polar and homopolar state of a molecule. Let ψ1 (x/R), ψ2 (x/R) be two electronic eigenfunctions of a molecule with stationary nuclei. Let these eigenfunctions have the property that for R≫R0, ψ1 has polar characteristics, ψ2 homopolar; while at R≪R0, ψ2 has polar characteristics, ψ1 homopolar. In the region R=R0 these two eigenfunctions may be said to exchange their characteristics.