EROTVIB, a general program to calculate rotationally and / or vibrationally elastic and inelastic cross sections for electron (positron) scattering by spherical, symmetric and asymmetric top molecules
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资源简介：
Title of program: EROTVIB
Catalogue Id: AAJM_v1_0
Nature of problem
This program calculates cross sections (total, differential and momentum transfer) for rotationally and/or vibrationally elastic and inelastic scattering of low energy electron (positron) impact by polyatomic molecules. It requires the body-fixed (BF) frame K-matrices for each symmetry (and at each geometry in case of vibrational excitation) as the input. For a polar molecule, the program has the provision to use the closure formula of Crawford and Dalgarno in order to obtain converged cross sec ...
Versions of this program held in the CPC repository in Mendeley Data
AAJM_v1_0; EROTVIB; 10.1016/0010-4655(84)90054-7
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
创建时间：
2019-11-11
