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dc.contributor.authorBölük, Ebise Muallaen_US
dc.date.accessioned2009-07-09T17:35:20Z
dc.date.available2009-07-09T17:35:20Z
dc.date.issued1982-07-09T17:35:20Z
dc.identifier.urihttp://hdl.handle.net/10464/1863
dc.description.abstractExch~nge energy of the He-He system is calculated using the one-density matrix which has been modified according to the supermolecular density formula quoted by Kolos. The exchange energy integrals are computed analytically and by the Monte Carlo method. The results obtained from both ways compared favourably,with the results obtained from the SCF program HONDOen_US
dc.language.isoengen_US
dc.publisherBrock Universityen_US
dc.subjectMatrices.en_US
dc.subjectMolecules.en_US
dc.subjectElectrons.en_US
dc.subjectMonte Carlo method.en_US
dc.subjectHe-He system.en_US
dc.subjectHONDO (Computer program)en_US
dc.titleExchange energy calculation of He-He with supermolecular one-matrixen_US
dc.typeElectronic Thesis or Dissertationen_US
dc.degree.nameM.Sc. Chemistryen_US
dc.degree.levelMastersen_US
dc.contributor.departmentDepartment of Chemistryen_US
dc.degree.disciplineFaculty of Mathematics and Scienceen_US
refterms.dateFOA2021-07-30T01:44:36Z


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