Convergent molecular close-coupling calculations for ion-atom collisions from low to intermediate energies

被引：36
作者：
Errea, LF
Harel, C
Illescas, C
Jouin, H
Mendez, L
Pons, B
Riera, A
机构：
[1] Univ Autonoma Madrid, Dept Quim, E-28049 Madrid, Spain
[2] Univ Bordeaux 1, Ctr Phys Theor & Modelisat, Lab Collis Atom, CNRS,UPRESA 5468, F-33405 Talence, France
来源：
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1998年 / 31卷 / 14期
关键词：
D O I：
10.1088/0953-4075/31/14/017
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
We propose a new scheme for molecular close-coupling calculations, in terms of a 'triple-centre' basis of adiabatic molecular orbitals, augmented with a set of Gaussian pseudostates centred at a point between the nuclei. The ability of this expansion to simultaneously reproduce electron excitation, capture and ionization is shown for He2+ +H(ls) and H+ + H(ls) collisions. Convergence checks are performed to confirm the accuracy of the results presented.
引用
收藏
页码：3199 / 3214
页数：16
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