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The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations

In the exploration of chemical systems through quantum mechanics, accurate treatment of the electron wavefunction, and the related electron density, is fundamental to extracting information concerning properties of a system. This work examines challenges in achieving accurate chemical information through manipulation of the one-electron basis set.

Identiferoai:union.ndltd.org:unt.edu/info:ark/67531/metadc849642
Date05 1900
CreatorsMahler, Andrew
ContributorsWilson, Angela K., Cundari, Thomas R., 1964-, Marshall, Paul, 1960-, Golden, Teresa Diane, 1963-, DeYonker, Nathan
PublisherUniversity of North Texas
Source SetsUniversity of North Texas
LanguageEnglish
Detected LanguageEnglish
TypeThesis or Dissertation
Formatv, 115 pages : illustrations, Text
RightsPublic, Mahler, Andrew, Copyright, Copyright is held by the author, unless otherwise noted. All rights Reserved.

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