ALTERNATIVE TREATMENT OF SEPARABLE QUANTUM-MECHANICAL MODELS - THE HYDROGEN MOLECULAR ION

被引:20
|
作者
FERNANDEZ, FM
机构
[1] QUINOR, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, 1900 La Plata, Calle 47 y 115
来源
JOURNAL OF CHEMICAL PHYSICS | 1995年 / 103卷 / 15期
关键词
D O I
10.1063/1.470386
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
We present an alternative approach to separable problems in quantum mechanics and apply it to the time-independent Schrodinger equation for the hydrogen molecular ion under the Born-Oppenheimer approximation. The roots of a pair of Hankel determinants, built from the Taylor coefficients of the regularized logarithmic derivative of the eigenfunctions resulting from separation in spheroidal coordinates, yield the separation constant and the internuclear distance accurately for every value of the electronic energy. The method converges rapidly, giving tight upper and lower bounds to the basic parameters. (C) 1995 American Institute of Physics.
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页码:6581 / 6585
页数:5
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