Quantum Chemistry by Random Walk
{'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 grant, under the Computational Science and                            Engineering Initiative in the Theoretical and Computational                     Chemistry Program, is in support of new developments in the                     so-called quantum random walk method for determining energies                   and other properties of molecules.  The method, a statistical                   approach to solving the Schroedinger equation, is capable of                    great accuracy and is expected to have significant impact on                    the field of theoretical chemistry.                                                  Professor Anderson will use the determination of the                       potential energy surface of the F + H2 -&gt; HF + H atom-exchange                  reaction as a vehicle for exploring refinements and extensions                  of the random walk method, and will determine accurate                          potential energies for small clusters of helium atoms.  These                   prototype systems illustrate many of the complexities of more                   elaborate chemical reactions and structural features.
{'FirstName': 'James', 'LastName': 'Anderson', 'PI_MID_INIT': 'B', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'James B Anderson', 'EmailAddress': 'jba@psu.edu', 'NSF_ID': '000248318', 'StartDate': '11/01/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Pennsylvania State Univ University Park', 'CityName': 'UNIVERSITY PARK', 'ZipCode': '168021503', 'PhoneNumber': '8148651372', 'StreetAddress': '201 OLD MAIN', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Pennsylvania', 'StateCode': 'PA', 'CONGRESSDISTRICT': '15', 'CONGRESS_DISTRICT_ORG': 'PA15', 'ORG_UEI_NUM': 'NPM2J7MSCF61', 'ORG_LGL_BUS_NAME': 'THE PENNSYLVANIA STATE UNIVERSITY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
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