Ab initio molecular treatment of Be4+-H2 collisions

被引：8

作者：

Macias, A

Errea, LF

Gorfinkiel, JD

Mendez, L

Riera, A

机构：

[1] CSIC, Inst Estructura Mat, Madrid 28006, Spain

[2] Univ Autonoma Madrid, Dept Quim, E-28049 Madrid, Spain

来源：

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE | 1998年 / 433卷

关键词：

ab initio; molecular energies; vibrationally resolved partial cross sections;

D O I：

10.1016/S0166-1280(98)00023-2

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 present ab initio molecular energies and all dynamical couplings required for a multistate treatment of charge transfer in the reaction of Be4+ ions with H-2 molecules in the range of 50 eV amu(-1) to 1 keV amu(-1). Vibrationally resolved partial cross sections are given. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：169 / 180

页数：12

共 31 条

[1]

Barat M., 1983, Fundamental Processes in Energetic Atomic Collisions. Proceedings of a NATO Advanced Study Institute, P389

[2] EXCITED-STATE PRODUCTION IN COLLISIONS OF H AND HE WITH N2, CO, AND O2 OVER ENERGY-RANGE 150-2400 EV [J].