U.S.-Belgium Cooperative Research: Wave Packet Dynamics in  Molecular Physics
{'Code': '01090000', 'Directorate': {'Abbreviation': 'O/D', 'LongName': 'Office Of The Director'}, 'Division': {'Abbreviation': 'OISE', 'LongName': 'Office Of Internatl Science &Engineering'}}
{'SignBlockName': 'Pierre Perrolle', 'PO_EMAI': None, 'PO_PHON': None}
This award will support collaborative research between Professor                Yngve Ohrn, University of Florida and Drs. P. Van Leuven and L.                 Lathouwers, University of Antwerp, Belgium.  The proposed research              deals with explicit time-dependent studies of electron and nuclear              dynamics in molecular processes.  It is important to develop such               capabilities to provide insight into charge transfer processes in               general.  Detailed theoretical understanding of such processes is               important for large areas of chemistry.  Electron transfer, for                 instance, as a general phenomenon affects our thinking in virtually             all areas of chemistry and in many areas of biology.  The                       difficulties in providing a precise description of such processes               stem from their dynamical nature.  One has to be able to treat the              electronic and the nuclear dynamics on an equal footing and to                  handle their coupling and the vastly different time scales of the               submolecular particles involved.                                                                                                                                In order to be able to predict electron transfer rates and to                   distinguish between various possible transfer mechanisms, the                   investigators propose to use the time-dependent variational                     principle and tested model wavefunctions for the electrons and a                wavepacket description of the active nuclei.  The very large number             of resulting first-order coupled differential equations in time are             solved with the use of novel time-averaging technique, and quantum              mechanical transition amplitudes are calculated directly without                further simplifying assumptions.  The research group of Professor               P. Van Leuven and Dr. L. Lathouwers in Belgium has outstanding                  expertise in the theory and implementation of wavepacket dynamics               in both molecular and nuclear physics.  The proposed research will              benefit from the combined U.S. and Belgian expertise in this topic.
{'FirstName': 'Yngve', 'LastName': 'Ohrn', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Yngve Ohrn', 'EmailAddress': 'ohrn@qtp.ufl.edu', 'NSF_ID': '000265211', 'StartDate': '05/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Florida', 'CityName': 'GAINESVILLE', 'ZipCode': '326111941', 'PhoneNumber': '3523923516', 'StreetAddress': '1523 UNION RD RM 207', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Florida', 'StateCode': 'FL', 'CONGRESSDISTRICT': '03', 'CONGRESS_DISTRICT_ORG': 'FL03', 'ORG_UEI_NUM': 'NNFQH1JAPEP3', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF FLORIDA', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '594700', 'Text': 'BELGIUM'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8802900.xml'}