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Applications of a local grid method for modeling chemical dynamics at a mean‐field level
Author(s) -
Adhikari S.,
Dutta P.,
Bhattacharyya S.P.
Publication year - 1996
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/(sici)1097-461x(1996)59:2<109::aid-qua3>3.0.co;2-1
Subject(s) - dimension (graph theory) , grid , isomerization , work (physics) , field (mathematics) , dynamics (music) , energy transfer , statistical physics , transfer (computing) , computer science , physics , chemical physics , chemistry , thermodynamics , mathematics , biochemistry , parallel computing , pure mathematics , geometry , acoustics , catalysis
A local grid method proposed earlier is used to model chemical dynamical events in more than one dimension. Two different mean‐field routes are applied to model problems representing dynamics of isomerization, H + ‐ion transfer, energy transfer, etc. The methods are seen to work with equal facility for both time‐dependent and time‐independent potentials. © 1996 John Wiley & Sons, Inc.