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

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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.

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Mahler, Andrew May 2016.

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  • Mahler, Andrew

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Description

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.

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  • May 2016

Added to The UNT Digital Library

  • June 28, 2016, 4:28 p.m.

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  • March 17, 2017, 11:37 a.m.

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Mahler, Andrew. The One Electron Basis Set: Challenges in Wavefunction and Electron Density Calculations, dissertation, May 2016; Denton, Texas. (digital.library.unt.edu/ark:/67531/metadc849642/: accessed May 21, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; .