U.S.-Korea Cooperative Research on Effective Hamiltonian    Theories of Molecular Electronic Structure
{'Code': '01090000', 'Directorate': {'Abbreviation': 'O/D', 'LongName': 'Office Of The Director'}, 'Division': {'Abbreviation': 'OISE', 'LongName': 'Office Of Internatl Science &Engineering'}}
{'SignBlockName': 'Gerald Edwards', 'PO_EMAI': None, 'PO_PHON': None}
This proposal requests funds to permit Dr. Karl F. Freed, Department            of Chemistry, University of Chicago, to pursue with Dr. Hosung Sun,             Department of Chemistry, Pusan National University, for a period of             24 months, a program of cooperative research on effective                       Hamiltonian theories of molecular electronic structure.  The                    collaborators will develop the necessary methods for calculating                dipole moments, diagonal and off-diagonal spin orbit couplings,                 other non-adiabatic couplings, relativistic corrections, etc. in                molecular systems.                                                                                                                                              The major thrust of the proposed research involves the extension of             quasidegenerate many-body perturbation theory (QDMBPT) to treat                 properties other than energy.  The calculation of molecular                     properties other than energy often provides a more stringent test of            the accuracy of electronic structure calculations than does                     calculation of the energy.  The collaborators bring complimentary               skills to bear on the research.  Dr. Freed will provide much of the             formal input including the connections with semiempirical methods,              while Dr. Sun will supervise the sophisticated aspects of algorithm             and code development with some contributions to formal theory and               applications.  This project is relevant to the objectives of the                U.S.-Korea Cooperative Science Program which seeks to increase the              level of cooperation between U.S. and Korean scientists and                     engineers through the exchange of scientific information, ideas,                skills, and techniques and through collaboration on problems of                 mutual benefit.  This project will add an international cooperative             dimension to Dr. Freed's research under NSF Grant No. CHE8617480.
{'FirstName': 'Karl', 'LastName': 'Freed', 'PI_MID_INIT': 'F', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Karl F Freed', 'EmailAddress': 'freed@uchicago.edu', 'NSF_ID': '000186894', 'StartDate': '08/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Chicago', 'CityName': 'CHICAGO', 'ZipCode': '606375418', 'PhoneNumber': '7737028669', 'StreetAddress': '5801 S ELLIS AVE', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Illinois', 'StateCode': 'IL', 'CONGRESSDISTRICT': '01', 'CONGRESS_DISTRICT_ORG': 'IL01', 'ORG_UEI_NUM': 'ZUE9HKT2CLC9', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF CHICAGO', 'ORG_PRNT_UEI_NUM': 'ZUE9HKT2CLC9'}
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{'Code': '5942', 'Text': 'KOREA'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1987&All=true', 'xml': '8716532.xml'}