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Relativistic effective core potentials and the theoretical chemistry of the transactinide elements

Posted on:1997-04-02Degree:Ph.DType:Dissertation
University:The Ohio State UniversityCandidate:Nash, Clinton ScottFull Text:PDF
GTID:1460390014483626Subject:Physical chemistry
Abstract/Summary:
hape-consistent, Ab initio relativistic effective core potentials (RECPs) and Gaussian valence basis sets were derived for Am-Element 118. These were used in conjunction with large-scale, self-consistent field and configuration interaction calculations to explore the electronic structure and, by inference, the likely chemistry of the transactinide (Z...
Keywords/Search Tags:Relativistic effective core potentials
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