Energy and Electronic and Magnetic Structure of Dimers,     Transition Metal Films, and Semiconductor Alloys and        Superlattices
{'Code': '03070005', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'DMR', 'LongName': 'Division Of Materials Research'}}
{'SignBlockName': 'G. Bruce Taggart', 'PO_EMAI': None, 'PO_PHON': None}
This project will continue the studies of density functional                    theory for exchange and correlation beyond the local density                    approximation.  Calculations of the dissociation energy, bond                   length, and vibrational frequency of several 4d transition metal                dimers and their ions will be made.  Additionally, calculations                 will be made of the electronic and magnetic (if any) structures                 of free standing Mo and Pd films as a function of lattice                       constant.  If ferromagnetic ground states are found at                          appropriate lattice constants, calculations will be performed for               surfaces and epitaxial overlayers to see if 4d ferromagnetism                   exists.
{'FirstName': 'Leonard', 'LastName': 'Kleinman', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Leonard Kleinman', 'EmailAddress': 'kleinman@mail.utexas.edu', 'NSF_ID': '000449576', 'StartDate': '03/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Texas at Austin', 'CityName': 'AUSTIN', 'ZipCode': '787121139', 'PhoneNumber': '5124716424', 'StreetAddress': '110 INNER CAMPUS DR', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Texas', 'StateCode': 'TX', 'CONGRESSDISTRICT': '25', 'CONGRESS_DISTRICT_ORG': 'TX25', 'ORG_UEI_NUM': 'V6AFQPN18437', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF TEXAS AT AUSTIN', 'ORG_PRNT_UEI_NUM': None}
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[{'Code': '176500', 'Text': 'CONDENSED MATTER & MAT THEORY'}, {'Code': '914500', 'Text': 'SPECIAL PROGRAMS-RESERVE'}]
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1987&All=true', 'xml': '8718048.xml'}