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Title:Excited State Dynamics of Trans-Cis Photoisomerization in Photoactive Yellow Protein Chromophores
Author(s):Ko, Chaehyuk
Doctoral Committee Chair(s):Martinez, Todd J.
Department / Program:Chemistry
Discipline:Chemistry
Degree Granting Institution:University of Illinois at Urbana-Champaign
Degree:Ph.D.
Genre:Dissertation
Subject(s):Chemistry, Physical
Abstract:As an efficient and accurate quantum chemical method for photobiological and condensed phase applications, pseudospectral time-dependent density functional theory (PS-TDDFT) is presented, which alleviates the O(N4) scaling problem in two-electron integral calculations. For the test cases in this work, PS-TDDFT is up to 10 times faster than the conventional TDDFT with hybrid functionals without sacrificing chemical accuracy.
Issue Date:2008
Type:Text
Language:English
Description:218 p.
Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2008.
URI:http://hdl.handle.net/2142/84294
Other Identifier(s):(MiAaPQ)AAI3314823
Date Available in IDEALS:2015-09-25
Date Deposited:2008


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