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Title:The Electronic Excited States of Green Fluorescent Protein Chromophore Models
Author(s):Olsen, Seth Carlton
Doctoral Committee Chair(s):Martinez, Todd J.
Department / Program:Biophysics and Computational Biology
Discipline:Biophysics and Computational Biology
Degree Granting Institution:University of Illinois at Urbana-Champaign
Subject(s):Physics, Molecular
Abstract:We explore the properties of quantum chemical approximations to the excited states of model chromophores of the green fluorescent protein of A. victoria. We calculate several low-lying states by several methods of quantum chemical calculation, including state-averaged complete active space SCF (CASSCF) methods, time dependent density functional theory (TDDFT), equation-of motion coupled cluster (EOM-CCSD) and multireference perturbation theory (MRPT). Amongst the low-lying states we identify the optically bright pipi* state of the molecules and examine its properties. We demonstrate that the state is dominated by a single configuration function. We calculate zero-time approximations to the resonance Raman spectrum of GFP chromophore models, and assign published spectra based upon these.
Issue Date:2004
Description:240 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2004.
Other Identifier(s):(MiAaPQ)AAI3130995
Date Available in IDEALS:2015-09-25
Date Deposited:2004

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