Calculation of adiabatic potentials of Li2

被引：51

作者：

Jasik, P ^{[1
]}

Sienkiewicz, JE ^{[1
]}

机构：

[1] Gdansk Univ Technol, Fac Appl Phys & Math, Dept Theoret & Math Phys, PL-80952 Gdansk, Poland

来源：

CHEMICAL PHYSICS | 2006年 / 323卷 / 2-3期

关键词：

adiabatic potential energy curves; Li-2; dimer; cold molecules;

D O I：

10.1016/j.chemphys.2005.10.025

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：

We report adiabatic potential energy curves of the lithium dimer. Our curves are tabulated according to internuclear distance from 3.2a(0) to 88a(0). We compare our theoretical results with the ones calculated by other authors and potential energy curves derived from experiments. In our approach we use the configuration interaction method where only the valence electrons of Li atom are treated explicitly. The core electrons are represented by pseudopotential. All calculations are performed by means of MOLPRO program package. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：563 / 573

页数：11

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