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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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π-electron theories of conjugated polymers

π-electron theories of conjugated polymers

Chapter:
(p.7) 2 π-electron theories of conjugated polymers
Source:
Electronic and Optical Properties of Conjugated Polymers
Author(s):

William Barford

Publisher:
Oxford University Press
DOI:10.1093/acprof:oso/9780199677467.003.0002

Semi-empirical π‐electron theories of conjugated polymers are introduced, starting from the fundamentals of the Born-Oppenheimer approximation and sp-hybridization. The models described include the simplest non-interacting (Hückel) theory, models of electron-nuclear coupling (i.e., the Su-Schrieffer-Heeger and Peierls models), and models of interacting electrons (i.e., the Pariser-Parr-Pople model). All of them are introduced in the second quantized notation.There is also a brief discussion of the role of spatial and electron-hole symmetries, and quantum numbers in classifying the electronic states of π‐ conjugated polymers.

Keywords:   Born-Oppenheimer approximation, sp-hybridization, second quantization, Hückel model, su-Schrieffer-Heeger model, Peierls model, Pariser-Parr-Pople model, symmetries, quantum numbers

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