UKRmol: a low-energy electron- and positron-molecule scattering suite

被引：181
|
作者：
Carr, J. M. [1 ]
Galiatsatos, P. G. [2 ]
Gorfinkiel, J. D. [3 ]
Harvey, A. G. [5 ]
Lysaght, M. A. [3 ]
Madden, D. [2 ]
Masin, Z. [3 ]
Plummer, M. [4 ]
Tennyson, J. [2 ]
Varambhia, H. N. [2 ]
机构：
[1] Univ Cambridge, Ctr Computat Chem, Univ Chem Lab, Cambridge CB2 1EW, England
[2] UCL, Dept Phys & Astron, London WC1E 6BT, England
[3] Open Univ, Dept Phys Sci, Milton Keynes MK7 6AA, Bucks, England
[4] STFC Daresbury Lab, Computat Sci & Engn Dept, Warrington WA4 4AD, Cheshire, England
[5] Max Born Inst, Div B, D-12489 Berlin, Germany
来源：
EUROPEAN PHYSICAL JOURNAL D | 2012年 / 66卷 / 03期
基金：
英国工程与自然科学研究理事会;
关键词：
DIFFERENTIAL CROSS-SECTIONS; R-MATRIX CALCULATION; DISSOCIATIVE RECOMBINATION; ROTATIONAL-EXCITATION; INTERMEDIATE ENERGIES; IMPACT DISSOCIATION; RYDBERG STATES; BOUND-STATES; COLLISIONS; PROGRAM;
D O I：
10.1140/epjd/e2011-20653-6
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
We describe the UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules. Recent developments in the UKRmol suite are detailed together with the collision processes it is enabling us to treat.
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收藏
页数：11
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