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
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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.
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页码:1 / 12
页数:12
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