Kay Kenneth G
Department of Chemistry, Bar-Ilan University, Ramat-Gan, Israel.
Annu Rev Phys Chem. 2005;56:255-80. doi: 10.1146/annurev.physchem.56.092503.141257.
This review describes some developments in the theory and application of the semiclassical initial representation for the treatment of the dynamical and static properties of atoms and molecules. The theoretical basis of initial value treatments for the propagator is discussed. A variety of useful alternative initial value expressions for the propagator and other quantities are presented as generalizations of the well-known Herman-Kluk approximation. Special emphasis is given to treatments that involve integration over only half the phase space variables. The recent development of semiclassical initial value expressions that are exact for specific, desired systems is reviewed and some of the implications are described.
本综述描述了半经典初始表示法在处理原子和分子的动力学和静态性质方面的理论与应用进展。讨论了传播子初值处理的理论基础。给出了多种传播子及其他量的有用替代初值表达式，作为著名的赫尔曼 - 克鲁克近似的推广。特别强调了仅对一半相空间变量进行积分的处理方法。回顾了针对特定所需系统精确的半经典初值表达式的最新进展，并描述了一些相关影响。
