Computational Studies of the Structure and Properties of    Molecules and Large Clusters Containing Heavy Elements
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Harry F. King', 'PO_EMAI': None, 'PO_PHON': None}
In this project in the Theoretical and Computational                       Physical Chemistry Program of the Chemistry Division, an                        undergraduate student, Magdalena Dudas, will assist Prof.                       Ermler in the analysis of vibrational-rotational polyatomic                     potential energy surfaces.                                                                                                                                            The project will use certain codes based on artifical                     intelligence to generate the necessary equations to treat                       problems involving complicated coupled interactions such as                     resonances and Coriolis effects.  The perturbation equations                    will be solved to successively higher orders by making use of                   such AI-based codes as 'MACSYMA" and 'Mathematica'.  The                        efficiency of the procedure will be monitored in terms of the                   rate of convergence to stable wave functions as a function of                   the order of perturbation theory.
{'FirstName': 'Walter', 'LastName': 'Ermler', 'PI_MID_INIT': 'C', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Walter C Ermler', 'EmailAddress': 'walter.ermler@utsa.edu', 'NSF_ID': '000302971', 'StartDate': '05/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Stevens Institute of Technology', 'CityName': 'HOBOKEN', 'ZipCode': '07030', 'PhoneNumber': '2012168762', 'StreetAddress': '1 CASTLEPOINT ON HUDSON', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'New Jersey', 'StateCode': 'NJ', 'CONGRESSDISTRICT': '08', 'CONGRESS_DISTRICT_ORG': 'NJ08', 'ORG_UEI_NUM': 'JJ6CN5Y5A2R5', 'ORG_LGL_BUS_NAME': 'THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1954', 'Text': 'QUANTUM CALCULATIONS'}
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