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

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 t...

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Bibliographic Details
Main Author: Mahler, Andrew
Other Authors: Wilson, Angela K.
Format: Others
Language:English
Published: University of North Texas 2016
Subjects:
Physical Chemistry
Theoretical Chemistry
Basis Sets
Wavefunction
Explicitly Correlated
Density Functional Theory
Basis sets (Quantum mechanics)
Electron distribution.
Wave functions.
Online Access:https://digital.library.unt.edu/ark:/67531/metadc849642/

Internet

https://digital.library.unt.edu/ark:/67531/metadc849642/

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