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Title:Quantum Monte Carlo Calculations of the Electronic Excitations of Germanium Atoms, Molecules and Nanoclusters Using Core-Polarization Potentials
Author(s):Vincent, Jordan Eric
Doctoral Committee Chair(s):Martin, Richard M.
Department / Program:Physics
Discipline:Physics
Degree Granting Institution:University of Illinois at Urbana-Champaign
Degree:Ph.D.
Genre:Dissertation
Subject(s):Physics, Condensed Matter
Abstract:A major part of this work involves quantifying the effect of core-valence correlation via the CPP. The CPP is found to be important for accurate calculations of the total energy, and for excitations of atoms and small molecules. However, there are only small changes in the lowest optical excitations of larger clusters, which can be understood in terms of the nature of the excitations, mainly the relative Ge s to p atomic orbital character of the excited state.
Issue Date:2006
Type:Text
Language:English
Description:239 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2006.
URI:http://hdl.handle.net/2142/80541
Other Identifier(s):(MiAaPQ)AAI3243017
Date Available in IDEALS:2015-09-25
Date Deposited:2006


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