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Tight-Binding Hamiltonians for Model...

Lee, Donghyun John.

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Tight-Binding Hamiltonians for Modeling Light Harvesting Systems.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Tight-Binding Hamiltonians for Modeling Light Harvesting Systems./
Author:	Lee, Donghyun John.
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2018,
Description:	100 p.
Notes:	Source: Dissertation Abstracts International, Volume: 80-03(E), Section: B.
Contained By:	Dissertation Abstracts International80-03B(E).
Subject:	Physical chemistry. -
Online resource:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10930047
ISBN:	9780438643239

Tight-Binding Hamiltonians for Modeling Light Harvesting Systems.
Lee, Donghyun John.

Tight-Binding Hamiltonians for Modeling Light Harvesting Systems. - Ann Arbor : ProQuest Dissertations & Theses, 2018 - 100 p.

Source: Dissertation Abstracts International, Volume: 80-03(E), Section: B.

Thesis (Ph.D.)--University of California, Berkeley, 2018.

This thesis is concerned with tractable methods for modeling the optical and electronic properties of photosynthetic light harvesting complexes. We begin by investigating the validity of the commonly used Frenkel Exciton Hamiltonian, and find that it is inaccurate at the intermolecular distances commonly encountered in photosynthetic systems. We introduce semi-empirical tight-binding Hamiltonians and dynamics models that are better able to simulate the electronic properties of these chromophores at the proper distances and orientations. These models are validated by comparisons of the predictions to experimental results.

ISBN: 9780438643239Subjects--Topical Terms:

1981412
Physical chemistry.

Tight-Binding Hamiltonians for Modeling Light Harvesting Systems.
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500 $a Adviser: Katharine B. Whaley.
502 $a Thesis (Ph.D.)--University of California, Berkeley, 2018.
520 $a This thesis is concerned with tractable methods for modeling the optical and electronic properties of photosynthetic light harvesting complexes. We begin by investigating the validity of the commonly used Frenkel Exciton Hamiltonian, and find that it is inaccurate at the intermolecular distances commonly encountered in photosynthetic systems. We introduce semi-empirical tight-binding Hamiltonians and dynamics models that are better able to simulate the electronic properties of these chromophores at the proper distances and orientations. These models are validated by comparisons of the predictions to experimental results.
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