GENERALIZED-METHOD FOR SOLVING MULTICENTER MOLECULAR INTEGRALS OF SLATER-TYPE ORBITALS

被引：0
|
作者：
TAI, H
机构：
来源：
CHINESE JOURNAL OF PHYSICS | 1994年 / 32卷 / 06期
关键词：
GENERAL MATHEMATICAL AND COMPUTATIONAL DEVELOPMENTS; COMPUTATIONAL TECHNIQUES (FOR DATA HANDLING AND COMPUTATION);
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
By introducing irreducible tensorial operators, the recently developed method of solving multi-center molecular integrals by coupling the two-center exchange integrals with a Fourier transform scheme is further generalized to handle any Slater type orbitals of arbitrarily higher angular momentum states. Numerical procedures can be applied to the final expressions to obtain numerical results.
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页码：847 / 862
页数：16
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