Effective reduced mass calculated in a non-minimal basis set within a non-adiabatic formulation of the ground state hydrogen atoms interaction problem

被引：0

作者：

Umanskii, SY

Hadinger, G

Rousseau, S

Boiron, M

Aubert-Frécon, M

机构：

[1] CNRS, Spectrometrie Ion & Mol Lab, F-69622 Villeurbanne, France

[2] Russian Acad Sci, Inst Chem Phys, Moscow 117977, Russia

[3] Univ Lyon 1, F-69622 Villeurbanne, France

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1999年 / 468卷 / 1-2期

关键词：

effective reduced mass; non-adiabatic formulation; slow atom collisions;

D O I：

暂无

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 variation with the internuclear distance R of the effective reduced mass for the relative motion of two ground state hydrogen atoms is determined in the general frame of the resonating group method (RGM) using a larger basis set than in our previous work. Stabilised values with respect to the basis length are displayed for R greater than or equal to 3.6a(0) for the X-1 Sigma(g)(+) state and for R greater than or equal to 4.5a(0) for the a(3) Sigma(u)(+) state i.e. in the range of R accessible in the collisions of cold hydrogen atoms. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：1 / 12

页数：12