Rates of Convergence, Error Estimation Formulas, and        Improved Basis Sets for Variational Methods in Atomic and   Molecular Physics
{'Code': '03010500', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'PHY', 'LongName': 'Division Of Physics'}}
{'SignBlockName': 'Charles N. Brown', 'PO_EMAI': None, 'PO_PHON': None}
The principal goal of this work is the development of                   techniques for the efficient, reliable calculation of atomic and                molecular properties, taking full account of electron correlation               effects.  The techniques will be tested via high accuracy bound                 state calculations on small atomic systems.  The principal tool                 used will be the principal investigator's extension of the work                 of Charles Schwartz and of Klahn and Morgan on rates of                         convergence for the Rayleigh Ritz variational method.  The                      recently developed formulas for the analytic evaluation of three                electron matrix element integrals, which are based on earlier                   work of Bonham, and which have now been programmed in FORTRAN,                  will also be used.  Significant improvements in accuracy and                    reliability with a reduced expenditure of computer time are                     expected.  The initial stages of the work would be of interest to               applied mathematicians and to atomic theorists concerned with                   high accuracy bound state calculations on small systems.                        Subsequent extensions to larger systems should be of interest to                other atomic and molecular theorists and to quantum chemists.
{'FirstName': 'Robert', 'LastName': 'Hill', 'PI_MID_INIT': 'N', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Robert N Hill', 'EmailAddress': 'rnhill@fishnet.com', 'NSF_ID': '000301736', 'StartDate': '07/15/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of Delaware', 'CityName': 'NEWARK', 'ZipCode': '197160099', 'PhoneNumber': '3028312136', 'StreetAddress': '220 HULLIHEN HALL', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'Delaware', 'StateCode': 'DE', 'CONGRESSDISTRICT': '00', 'CONGRESS_DISTRICT_ORG': 'DE00', 'ORG_UEI_NUM': 'T72NHKM259N3', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF DELAWARE', 'ORG_PRNT_UEI_NUM': 'T72NHKM259N3'}
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{'Code': '1245', 'Text': 'THEORETICAL PHYSICS'}
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