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Evaluation of cross sections for X‐ray and high‐energy electron scattering from molecular systems
Author(s) -
Wang Jiahu,
Smith Vedene H.
Publication year - 1994
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560520503
Subject(s) - formalism (music) , scattering , electron , electron scattering , atomic physics , wave function , x ray , physics , high energy , computational physics , chemistry , quantum mechanics , art , musical , visual arts
Abstract An analytical and computationally efficient formalism for the evaluation of rotationally averaged cross sections for X‐ray and high‐energy electron scattering from molecular systems is given. Its application for both SCF and CI wave functions is discussed. © 1994 John Wiley & Sons, Inc.