Potential energy curves for the Zn-2 dimer

被引：36

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 | 1996年 / 255卷 / 1-3期

关键词：

D O I：

10.1016/0009-2614(96)00336-3

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：

MRCI(SD) calculations have been performed for the adiabatic potential curves and dipole transition moments of diatomic zinc. Only the four valence electrons of the system are treated explicitly, whereas the atomic cores are replaced by the energy-adjusted pseudopotentials. The spin-orbit coupling has not been considered.

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页码：203 / 209

页数：7

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