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High‐energy electron and X‐ray scattering from H 2 using Monte Carlo techniques
Author(s) -
Alexander S. A.,
Coldwell R. L.,
Hoffmeyer Ruth E.,
Thakkar Ajit J.
Publication year - 1995
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.560560868
Subject(s) - monte carlo method , physics , inelastic scattering , electron , scattering , dynamic monte carlo method , statistical physics , wave function , computational physics , elastic scattering , monte carlo molecular modeling , quantum monte carlo , electron scattering , atomic physics , nuclear physics , quantum mechanics , mathematics , markov chain monte carlo , statistics
Variational Monte Carlo techniques are used to compute cross sections for the elastic and inelastic scattering of fast electrons and X‐rays by H 2 . These techniques permit us to use a correlated wave function that would be difficult to handle using conventional techniques. Our results are in good agreement with the best previous calculations. © 1995 John Wiley & Sons, Inc.