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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.
Date:
May 2016
Creator:
Mahler, Andrew
System:
The UNT Digital Library