Dynamics and Time-Evolution of Molecular Systems
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'David M. Stanbury', 'PO_EMAI': None, 'PO_PHON': None}
This project in the Theoretical and Computational Chemistry                     Program involves study of electron nuclear dynamics in                          molecules.  Most previous work has assumed electronic and                       nuclear motions to be separable.  Here, new theoretical and                     computational methods will be developed to allow study of the                   coupling of these motions.  Applications will be made to                        problems of current interest where such effects are important.                  These include nonadiabatic couplings in molecular spectra and                   the time-dependent dynamics of electron transfer processes.
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{'Code': '195400', 'Text': 'QUANTUM CALCULATIONS'}
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