ADIABATIC POTENTIAL CURVES FOR THE CD-2 DIMER

被引：37

作者：

CZUCHAJ, E

REBENTROST, F

STOLL, H

PREUSS, H

机构：

[1] UNIV STUTTGART,INST THEORET CHEM,D-70550 STUTTGART,GERMANY

[2] UNIV GDANSK,INST THEORET PHYS & ASTROPHYS,PL-80952 GDANSK,POLAND

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 225卷 / 1-3期

关键词：

D O I：

10.1016/0009-2614(94)00625-3

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：

Potential energy curves and dipole transition moments for a number of electronic states of the Cd2 dimer are presented and discussed. They are derived using the MRCI(SD) procedure for the valence electrons of the species, while the core electrons are represented by semi-empirical l-dependent pseudopotentials. The effect of spin-orbit coupling is not investigated.

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页码：233 / 239

页数：7

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