ORBIT-ORBIT INTEGRALS FOR DIATOMIC MOLECULES

被引：17

作者：

MATCHA, RL

KERN, CW

机构：

[1] Battelle Memorial Institute, Columbus

[2] Battelle Memorial Institute, Department of Chemistry, Ohio State University, Columbus

[3] Department of Chemistry, Houston, TX

[4] University of Houston, Houston, TX

来源：

JOURNAL OF CHEMICAL PHYSICS | 1969年 / 51卷 / 08期

关键词：

D O I：

10.1063/1.1672532

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：

The one- and two-center Coulomb, hybrid, and exchange integrals that contribute to the orbit-orbit interaction in diatomic molecules are evaluated for arbitrary combinations of Slater orbitals. The basic formulation and the results are compatible with some previous treatments of interelectronic- repulsion and fine-structure integrals.

引用

页码：3434 / &

共 23 条

[1]

Bethe H.A., 1957, QUANTUM MECH ONE 2 E, P170

[2] THEORY OF SPIN-ORBIT COUPLING IN ATOMS .1. DERIVATION OF SPIN-ORBIT COUPLING CONSTANT [J].