Harris Frank E, Smith Vedene H
Department of Physics, University of Utah, Salt Lake City, Utah 84112, USA.
J Phys Chem A. 2005 Dec 22;109(50):11413-6. doi: 10.1021/jp0531098.
Wave functions which are compact, but still quite accurate, are extremely valuable as tools for gaining understanding of quantum systems. This paper investigates the use for that purpose of functions that depend exponentially on all the interparticle distances of a few-body system, illustrated by a study of the ground electronic states of the He isoelectronic series (Z from 1 to 10). Using as few as 4 exponential basis functions, it is found that nonrelativistic energies are reproduced to within 38 microhartrees of the exact values, an error far less than for previously reported compact wave functions. Other properties are also well-represented.
紧凑但仍相当精确的波函数，作为理解量子系统的工具具有极高的价值。本文研究了指数依赖于少体系统所有粒子间距离的函数在此目的上的应用，以氦等电子序列（Z从1到10）的基态电子态研究为例进行说明。结果发现，仅使用4个指数基函数，非相对论能量就能被精确到与精确值相差38微哈特里以内，这个误差远比之前报道的紧凑波函数小得多。其他性质也能得到很好的体现。
