FERM3D: A finite element R-matrix electron molecule scattering code
收藏NIAID Data Ecosystem2026-03-11 收录
下载链接：
https://elsevier.digitalcommonsdata.com/datasets/vjncvf7t3f
下载链接
链接失效反馈官方服务：
资源简介：
Abstract
FERM3D is a three-dimensional finite element program, for the elastic scattering of a low energy electron from a general polyatomic molecule, which is converted to a potential scattering problem. The code is based on tricubic polynomials in spherical coordinates. The electron-molecule interaction is treated as a sum of three terms: electrostatic, exchange, and polarization. The electrostatic term can be extracted directly from ab initio codes (GAUSSIAN 98 in the work described here), while th...
Title of program: FERM3D
Catalogue Id: ADYL_v1_0
Nature of problem
Scattering of an electron from a complex polyatomic molecular target.
Versions of this program held in the CPC repository in Mendeley Data
ADYL_v1_0; FERM3D; 10.1016/j.cpc.2006.08.006
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
