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Density functional resonance theory: Complex density functions, convergence, orbital energies, and functionals

✍ Scribed by Whitenack, Daniel L.; Wasserman, Adam


Book ID
111647307
Publisher
American Institute of Physics
Year
2012
Tongue
English
Weight
452 KB
Volume
136
Category
Article
ISSN
0021-9606

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## Abstract From the viewpoint of density functional theory, an expression is derived which improves the average energy of a trial density. Applications to atoms and molecules are made using wave function methods and are based on properties of the variance, which is defined as \documentclass{articl