AB-INITIO CALCULATION OF SPIN-ORBIT-COUPLING CONSTANT FROM GAUSSIAN LOBE SCF MOLECULAR WAVEFUNCTIONS

被引：36

作者：

ABEGG, PW

HA, TK

机构：

[1] UNIV ZURICH,PHYS CHEM INST,ZURICH,SWITZERLAND

[2] SWISS FED INST TECHNOL,LAB PHYS CHEM,ZURICH,SWITZERLAND

来源：

MOLECULAR PHYSICS | 1974年 / 27卷 / 03期

关键词：

D O I：

10.1080/00268977400100661

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：

引用

页码：763 / 767

页数：5

共 13 条

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[6] EVALUATION OF MOLECULAR SPIN-ORBIT INTEGRALS BY AA GAUSSIAN EXPANSION METHOD [J].

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MOLECULAR PHYSICS, 1972, 24 (05) :1103-&

[7] CONFIGURATION INTERACTION IN ORBITAL THEORIES [J].

NESBET, RK .

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[8] EXCITED ELECTRONIC STATES OF 1,3-BUTADIENE [J].

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[9]

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[10]

Walker T. E. H., 1968, S FARADAY SOC, V2, P64

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