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Electronic and Optical Properties of Conjugated Polymers$
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William Barford

Print publication date: 2013

Print ISBN-13: 9780199677467

Published to Oxford Scholarship Online: May 2013

DOI: 10.1093/acprof:oso/9780199677467.001.0001

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PRINTED FROM OXFORD SCHOLARSHIP ONLINE (oxford.universitypressscholarship.com). (c) Copyright Oxford University Press, 2021. All Rights Reserved. An individual user may print out a PDF of a single chapter of a monograph in OSO for personal use. date: 05 March 2021

Noninteracting electrons

Noninteracting electrons

(p.26) 3 Noninteracting electrons
Electronic and Optical Properties of Conjugated Polymers

William Barford

Oxford University Press

The Hückel model of noninteracting electrons is solved for a variety of problems. First, it is applied to the ethylene dimer, as this serves to introduce concepts of excited states used later in the book.Next, the Hückel model is solved for linear and cyclic polymer chains that are both uniform and dimerized. Metallic and semiconducting band structures are derived and discussed. The particularly important concept of electron-hole excitations and their properties under an electron-hole transformation are described.Finally, the concept of bond-order is introduced to motivate the physical explanation of the Peierls transition, discussed in Chapter 4.

Keywords:   Hückel model, noninteracting electrons, bands, Dimer, electron-hole excitations, bond order

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