Conical intersection between the lowest spin-aligned Li3(4A′) potential-energy surfaces -: art. no. 091101

被引：13

作者：

Brue, DA ^{[1
]}

Li, X ^{[1
]}

Parker, GA ^{[1
]}

机构：

[1] Univ Oklahoma, Dept Phys & Astron, Norman, OK 73019 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2005年 / 123卷 / 09期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.2031187

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 have calculated new potential-energy surfaces for the lowest two spin-aligned (4)A(') states of the Li-3 trimer. This calculation shows a seam of conical intersections between these states resulting from the extra symmetry of the system when the atoms are in a collinear arrangement. This seam is especially important because of its proximity to the three-body dissociation limit of the system; ultracold scattering calculations and the bound-state energies of the system will be affected by the presence of this conical intersection. In this paper we discuss the calculation of the potential-energy surface and the location of the conical intersection seam. (C) 2005 American Institute of Physics.

引用

页数：4

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