U.S.-Brazil Cooperative Research:  Theoretical Studies of   the Electronic Structure of Molecules
{'Code': '01090000', 'Directorate': {'Abbreviation': 'O/D', 'LongName': 'Office Of The Director'}, 'Division': {'Abbreviation': 'OISE', 'LongName': 'Office Of Internatl Science &Engineering'}}
{'SignBlockName': 'Christine French', 'PO_EMAI': None, 'PO_PHON': None}
This award supports the participation of Dr. William A. Lester of               the University of California, Berkeley, in a program of cooperative             research with Dr. Carlton A. Taft of the Brazilian Center of                    Physics Research in Rio de Janeiro, aimed at investigating the                  electronic structure, bonding, and other properties of molecules.               The electronic properties to be investigated include electronic                 structure, equilibrium geometry, barriers to rearrangement, and                 dissociation energies.  The consequent improved understanding of                molecular properties will be of interest to workers in the fields               of chemistry, physics, and biology.                                                                                                                             This project will make use of the complementary theoretical                     capabilities of the U.S. and Brazilian groups.  The U.S. group has              pioneered the development of the quantum Monte Carlo method to                  determine the energy and other properties of atoms and molecules.               In addition, this group has performed calculations of electronic                properties using the more approximate, but less expensive,                      multiconfiguration Hartree-Fock method for larger systems.  The                 Brazilian group focuses on larger systems using Hartree-Fock and                generalized valence-bond methods.  Thus, methods to deal with                   various types of molecular systems, as appropriate, are available.              In addition to the purely scientific benefit, the collaboration                 will be beneficial to both groups by providing exposure to very                 different systems and methods for which the theoretical and                     computational requirements have previously dictated the need for                alternative methods.
{'FirstName': 'William', 'LastName': 'Lester Jr', 'PI_MID_INIT': 'A', 'PI_SUFX_NAME': 'Jr.', 'PI_FULL_NAME': 'William A Lester Jr', 'EmailAddress': 'WALester@lbl.gov', 'NSF_ID': '000305505', 'StartDate': '09/15/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'University of California-Berkeley', 'CityName': 'BERKELEY', 'ZipCode': '947101749', 'PhoneNumber': '5106433891', 'StreetAddress': '1608 4TH ST STE 201', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'California', 'StateCode': 'CA', 'CONGRESSDISTRICT': '12', 'CONGRESS_DISTRICT_ORG': 'CA12', 'ORG_UEI_NUM': 'GS3YEVSS12N6', 'ORG_LGL_BUS_NAME': 'REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE', 'ORG_PRNT_UEI_NUM': None}
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{'Code': '5913', 'Text': 'BRAZIL'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1987&All=true', 'xml': '8702278.xml'}