Density -Functional Study of Molecules, Clusters, and Quantum Nanostructures: Development of Nonlocal Exchange -Correlation Approximations
Kim, Yong-Hoon
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https://hdl.handle.net/2142/80689
Description
Title
Density -Functional Study of Molecules, Clusters, and Quantum Nanostructures: Development of Nonlocal Exchange -Correlation Approximations
Author(s)
Kim, Yong-Hoon
Issue Date
2000
Doctoral Committee Chair(s)
Martin, Richard M.
Department of Study
Physics
Discipline
Physics
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Physics, Condensed Matter
Language
eng
Abstract
Our final objective is thus developing a nonlocal exchange-correlation functional that produces both good structural properties and KS eigenvalue spectra, which is equivalent to the problem of finding a proper way of including correlations on top of the EXX. We conclude this thesis by showing that EXX-based hybrid methods achieve this goal.
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