Momentum dependent excitation processes in organic materials

Z. Shuai; E. Zojer; G. Leising; J. L. Brédas

doi:10.1016/S0379-6779(98)01348-4

Momentum dependent excitation processes in organic materials

Z. Shuai^*, E. Zojer, G. Leising, J. L. Brédas

^*Corresponding author for this work

Research output: Contribution to journal › Conference article › peer-review

2 Scopus citations

Abstract

We have developed a model to describe momentum dependent excitation processes in conjugated organic materials based on quantum-chemical techniques including electron-electron correlation effects. The results of our simulations do agree very well with electron energy-loss experiments. We have also been able to show the equivalence between quantum-chemical and solid state physics approaches yielding a band structure like behavior of finite size molecules with a sufficient number of repeat units. This explains the possibility of describing conjugated polymers via band-structure calculations, in spite of the fact that only finite conjugation lengths can be achieved.

Original language	English (US)
Pages (from-to)	337-338
Number of pages	2
Journal	Synthetic Metals
Volume	101
Issue number	1
DOIs	https://doi.org/10.1016/S0379-6779(98)01348-4
State	Published - May 1999
Externally published	Yes
Event	Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98) - Montpellier Duration: Jul 12 1998 → Jul 18 1998

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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10.1016/S0379-6779(98)01348-4

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title = "Momentum dependent excitation processes in organic materials",

abstract = "We have developed a model to describe momentum dependent excitation processes in conjugated organic materials based on quantum-chemical techniques including electron-electron correlation effects. The results of our simulations do agree very well with electron energy-loss experiments. We have also been able to show the equivalence between quantum-chemical and solid state physics approaches yielding a band structure like behavior of finite size molecules with a sufficient number of repeat units. This explains the possibility of describing conjugated polymers via band-structure calculations, in spite of the fact that only finite conjugation lengths can be achieved.",

author = "Z. Shuai and E. Zojer and G. Leising and Br{\'e}das, {J. L.}",

year = "1999",

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doi = "10.1016/S0379-6779(98)01348-4",

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TY - JOUR

T1 - Momentum dependent excitation processes in organic materials

AU - Shuai, Z.

AU - Zojer, E.

AU - Leising, G.

AU - Brédas, J. L.

PY - 1999/5

Y1 - 1999/5

N2 - We have developed a model to describe momentum dependent excitation processes in conjugated organic materials based on quantum-chemical techniques including electron-electron correlation effects. The results of our simulations do agree very well with electron energy-loss experiments. We have also been able to show the equivalence between quantum-chemical and solid state physics approaches yielding a band structure like behavior of finite size molecules with a sufficient number of repeat units. This explains the possibility of describing conjugated polymers via band-structure calculations, in spite of the fact that only finite conjugation lengths can be achieved.

AB - We have developed a model to describe momentum dependent excitation processes in conjugated organic materials based on quantum-chemical techniques including electron-electron correlation effects. The results of our simulations do agree very well with electron energy-loss experiments. We have also been able to show the equivalence between quantum-chemical and solid state physics approaches yielding a band structure like behavior of finite size molecules with a sufficient number of repeat units. This explains the possibility of describing conjugated polymers via band-structure calculations, in spite of the fact that only finite conjugation lengths can be achieved.

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U2 - 10.1016/S0379-6779(98)01348-4

DO - 10.1016/S0379-6779(98)01348-4

M3 - Conference article

AN - SCOPUS:0032597274

SN - 0379-6779

VL - 101

SP - 337

EP - 338

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1

T2 - Proceedings of the 1998 International Conference on Science and Technology of Synthetic Metals (ICSM-98)

Y2 - 12 July 1998 through 18 July 1998

ER -

Momentum dependent excitation processes in organic materials

Abstract

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