The Chemistry of Interfaces using Density Functional        Theory
{'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, Lovett will study                 integral equations which relate the density and the pair                        correlation function.  The problems are important for the                       determination of the spatial variation of the density in                        interfacial regions such as liquid-vapor or liquid-solid                        interfaces, of the profile of fluids adsorbed onto walls or                     solids, and of the variation of ion concentrations at                           electrolyte-electrode boundaries.                                                                                                                               An abstract argument shows that the number of solutions to the                  integral equations is very sensitive to the approximations made                 for the pair correlation function kernels, with the most likely                 consequence being the creation of an integral equation which                    possesses no solution.  All the numerical work to date had been                 undertaken without a clear understanding of how the number of                   solutions varies with the approximation.  The goal of the                       present work is to show how the number of solutions varies                      explicitly with the approximations and to provide a concrete                    connection between the abstract picture and the calculations.
{'FirstName': 'Ronald', 'LastName': 'Lovett', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Ronald Lovett', 'EmailAddress': 'c24880rl@wuvmd.wustl.edu', 'NSF_ID': '000372412', 'StartDate': '01/01/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Washington University', 'CityName': 'SAINT LOUIS', 'ZipCode': '63110', 'PhoneNumber': '3147474134', 'StreetAddress': 'ONE BROOKINGS DR', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Missouri', 'StateCode': 'MO', 'CONGRESSDISTRICT': '01', 'CONGRESS_DISTRICT_ORG': 'MO01', 'ORG_UEI_NUM': 'L6NFUM28LQM5', 'ORG_LGL_BUS_NAME': 'WASHINGTON UNIVERSITY, THE', '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': '8819014.xml'}