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dc.contributor.authorThomas, G. F.en_US
dc.date.accessioned2009-07-09T18:42:30Z
dc.date.available2009-07-09T18:42:30Z
dc.date.issued1975-07-09T18:42:30Z
dc.identifier.urihttp://hdl.handle.net/10464/2026
dc.description.abstractThe one-electron reduced local energy function, t ~ , is introduced and has the property < tL)=(~>. It is suggested that the accuracy of SL reflects the local accuracy of an approximate wavefunction. We establish that <~~>~ <~2,> and present a bound formula, E~ , which is such that where Ew is Weinstein's lower bound formula to the ground state. The nature of the bound is not guaranteed but for sufficiently accurate wavefunctions it will yield a lower bound. ,-+ 1'S I I Applications to X LW Hz. and ne are presented.en_US
dc.language.isoengen_US
dc.publisherBrock Universityen_US
dc.subjectWave functions.en_US
dc.subjectElectrons.en_US
dc.subjectEnergy-band theory of solids.en_US
dc.titleReduced local energy calculations on X¹Sigmaâ ½gHâ and 1¹S He /|nGerald F. Thomas. -- 260 St. Catharines [Ont.] : Dept. of Chemistry, Brock University,en_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.dateFOA2021-08-07T02:38:25Z


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