Electronic Structure of Semiconductor and Heavy Main Group  Clusters
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
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In this project in the Theoretical and Computational Physical                   Chemistry Program of the Chemistry Division, Balasubramanian                    will carry out large-scale calculations on semiconductor                        clusters.  These calculations will investigate the energy and                   structure of these clusters.                                                                                                                                    Multi-configuration self-consistent field, followed by                          configuration interaction and relativistic configuration                        interaction calculations are proposed for heavy mixed                           semiconductor clusters containing gallium, arsenic,indium,                      antimony, tin, lead, and bismuth atoms.  The energy separations                 of low-lying electronic states, geometries, ionization                          potentials, electron affinities, and binding energies will be                   investigated as a function of cluster size.
{'FirstName': 'Krishnan', 'LastName': 'Balasubramanian', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Krishnan Balasubramanian', 'EmailAddress': 'kris.bala@csueastbay.edu', 'NSF_ID': '000231721', 'StartDate': '01/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
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{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
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