Interaction of two solitons on two trans-polyacetylene chains

Kazunari Yoshizawa; Kazuyoshi Tanaka; Tokio Yamabe

doi:10.1016/0379-6779(90)90236-E

Interaction of two solitons on two trans-polyacetylene chains

Kazunari Yoshizawa, Kazuyoshi Tanaka, Tokio Yamabe

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Abstract

We have studied the interaction of two solitons on two trans-polyacetylene chains in the framework of the molecular orbital theory employing the spin-restricted Hartree-Fock (RHF) and the unrestricted Hartree-Fock (UHF) methodologies for π-electrons. We discuss the energetical stability for the cases of a singlet pair of neutral solitons and a pair of oppositely charged solitons, each soliton existing and interacting on the two chains. We have found the former to be energetically more stable and that a transition from the former to the latter would take place upon photoexcitation. The decrease in the intensity of the electron spin resonance signal upon photoexcitation can be explained by this transition.

Original language	English
Pages (from-to)	75-81
Number of pages	7
Journal	Synthetic Metals
Volume	36
Issue number	1
DOIs	https://doi.org/10.1016/0379-6779(90)90236-E
Publication status	Published - May 1990
Externally published	Yes

All Science Journal Classification (ASJC) codes

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

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10.1016/0379-6779(90)90236-E

Cite this

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title = "Interaction of two solitons on two trans-polyacetylene chains",

abstract = "We have studied the interaction of two solitons on two trans-polyacetylene chains in the framework of the molecular orbital theory employing the spin-restricted Hartree-Fock (RHF) and the unrestricted Hartree-Fock (UHF) methodologies for π-electrons. We discuss the energetical stability for the cases of a singlet pair of neutral solitons and a pair of oppositely charged solitons, each soliton existing and interacting on the two chains. We have found the former to be energetically more stable and that a transition from the former to the latter would take place upon photoexcitation. The decrease in the intensity of the electron spin resonance signal upon photoexcitation can be explained by this transition.",

author = "Kazunari Yoshizawa and Kazuyoshi Tanaka and Tokio Yamabe",

note = "Funding Information: This work was partially supported by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science and Culture of Japan. Numerical calculations were carried out at the Data Processing Center of Kyoto University.",

year = "1990",

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doi = "10.1016/0379-6779(90)90236-E",

language = "English",

volume = "36",

pages = "75--81",

journal = "Synthetic Metals",

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T1 - Interaction of two solitons on two trans-polyacetylene chains

AU - Yoshizawa, Kazunari

AU - Tanaka, Kazuyoshi

AU - Yamabe, Tokio

N1 - Funding Information: This work was partially supported by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science and Culture of Japan. Numerical calculations were carried out at the Data Processing Center of Kyoto University.

PY - 1990/5

Y1 - 1990/5

N2 - We have studied the interaction of two solitons on two trans-polyacetylene chains in the framework of the molecular orbital theory employing the spin-restricted Hartree-Fock (RHF) and the unrestricted Hartree-Fock (UHF) methodologies for π-electrons. We discuss the energetical stability for the cases of a singlet pair of neutral solitons and a pair of oppositely charged solitons, each soliton existing and interacting on the two chains. We have found the former to be energetically more stable and that a transition from the former to the latter would take place upon photoexcitation. The decrease in the intensity of the electron spin resonance signal upon photoexcitation can be explained by this transition.

AB - We have studied the interaction of two solitons on two trans-polyacetylene chains in the framework of the molecular orbital theory employing the spin-restricted Hartree-Fock (RHF) and the unrestricted Hartree-Fock (UHF) methodologies for π-electrons. We discuss the energetical stability for the cases of a singlet pair of neutral solitons and a pair of oppositely charged solitons, each soliton existing and interacting on the two chains. We have found the former to be energetically more stable and that a transition from the former to the latter would take place upon photoexcitation. The decrease in the intensity of the electron spin resonance signal upon photoexcitation can be explained by this transition.

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Interaction of two solitons on two trans-polyacetylene chains

Abstract

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