Olson R E, Smith F T, Bauer E
Appl Opt. 1971 Aug 1;10(8):1848-55. doi: 10.1364/AO.10.001848.
A semiempirical method, based on a correlation of ninety-nine calculated or measured values, is suggested for estimating the coupling matrix elements H(12) needed in a Landau-Zener calculation. The procedure is applicable to one-electron transfer problems, such as charge transfer and ion-ion recombination calculations, and requires only a knowledge of the crossing distance R(x), and readily available atomic properties such as ionization potentials, electron affinities, and atomic energy levels. A discussion follows explaining the possible applications and limitations of the method.
本文提出了一种基于九十九个计算值或测量值相关性的半经验方法，用于估算朗道-齐纳计算中所需的耦合矩阵元H(12)。该方法适用于单电子转移问题，如电荷转移和离子-离子复合计算，并且只需要知道交叉距离R(x)以及诸如电离能、电子亲和能和原子能级等容易获得的原子性质。随后进行了讨论，解释了该方法可能的应用和局限性。
