The Statistical Mechanics of Electronic Structure in        Condensed Phases
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Richard Hilderbrandt', 'PO_EMAI': None, 'PO_PHON': None}
In this project in the Theoretical and Computational Chemistry                  Subprogram of the Physical Chemistry Program, Stratt will                       develop an analytical statistical mechanical method suitable                    for treating electronic-structure-in-condensed-phase problems.                  Between the well-studied extremes of the electronic structure                   of small molecules and the band structure of pure crystalline                   solids, lie a large number of chemical systems for which the                    electronic properties can only be understood in terms of the                    richness of behavior possible for a condensed phase.  Examples                  of this diversity range from solvent-induced spectral shifts to                 the phase transitions observed in crystals of mixed-valence                     complexes; from the metal-insulator transitions of simple                       expanded liquid metals to the wide variety of liquid structures                 and electronic characteristics seen in liquid semiconductors.                                                                                                   With the aid of newly developed path integral methods and                       analytical liquid theories, models for each of these highly                     quantum mechanical problems can be formulated and solved as if                  they were exercises in classical statistical mechanics.                         Theplan is to use the insights so derived to enable a                           rethinking of current gas-phase-based attitudes towards                         intermolecular interactions and the macroscopic phenomena they                  can lead to.
{'FirstName': 'Richard', 'LastName': 'Stratt', 'PI_MID_INIT': 'M', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Richard M Stratt', 'EmailAddress': 'Richard_Stratt@Brown.edu', 'NSF_ID': '000217570', 'StartDate': '01/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Brown University', 'CityName': 'PROVIDENCE', 'ZipCode': '029129100', 'PhoneNumber': '4018632777', 'StreetAddress': '1 PROSPECT ST', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Rhode Island', 'StateCode': 'RI', 'CONGRESSDISTRICT': '01', 'CONGRESS_DISTRICT_ORG': 'RI01', 'ORG_UEI_NUM': 'E3FDXZ6TBHW3', 'ORG_LGL_BUS_NAME': 'BROWN UNIVERSITY', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '1956', 'Text': 'STATISTICAL AND SIMULATIONS'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8815163.xml'}