THE ATOMIC 3-BODY PROBLEM - AN ACCURATE LOWER BOND CALCULATION USING WAVE-FUNCTIONS WITH LOGARITHMIC TERMS

被引:43
作者
KLEINDIENST, H
EMRICH, R
机构
[1] Institut für Physikalische Chemie I, Heinrich-Heine-Universität Düsseldorf, Düsseldorf
关键词
D O I
10.1002/qua.560370306
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Accurate lower and upper bounds for the nonrelativistic ground state energies E0 of the real systems 4He, H−, D−, and T− were calculated by the method of variance minimization using wave functions which include logarithmic terms. In addition, an analogous treatment with an infinite mass approximation for H−, He, and the isoelectronic series up to Z = 10 was carried out. Especially for H− and He the results (a.u.) are given by (Formula Presented.) These values have an absolute error smaller than 1.28 · 10−4 cm−1 for H−1and 3.10 · 10−9 cm−1 for He. Moreover it is shown that a variation of nuclear mass mn for the H− species does not produce a second discrete eigenvalue. Copyright © 1990 John Wiley & Sons, Inc.
引用
收藏
页码:257 / 269
页数:13
相关论文
共 21 条