Quantum-confinement effects on the ordering of the lowest-lying excited states in conjugated chains

Z. Shuai; J. Brédas; S. Pati; S. Ramasesha

doi:10.1103/PhysRevB.56.9298

Quantum-confinement effects on the ordering of the lowest-lying excited states in conjugated chains

Z. Shuai, J. Brédas, S. Pati, S. Ramasesha

Research output: Contribution to journal › Article › peer-review

41 Scopus citations

Abstract

The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard-Peierls model (with parameters (Formula presented) and bond alternation δ) to study the ordering of the lowest one-photon (Formula presented) and two-photon (Formula presented) states in one-dimensional conjugated systems with chain lengths (Formula presented) up to (Formula presented) sites. Three different types of crossovers are studied, as a function of (Formula presented) δ, and (Formula presented) The “(Formula presented) crossover” emphasizes the larger ionic character of the (Formula presented) state compared to the lowest triplet excitation. The “δ crossover” shows strong dependence on both (Formula presented) and (Formula presented) the “(Formula presented) crossover” illustrates the more localized nature of the (Formula presented) excitation relative to the (Formula presented) excitation at intermediate correlation strengths.

Original language	English (US)
Pages (from-to)	9298-9301
Number of pages	4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	56
Issue number	15
DOIs	https://doi.org/10.1103/PhysRevB.56.9298
State	Published - 1997
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.56.9298

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title = "Quantum-confinement effects on the ordering of the lowest-lying excited states in conjugated chains",

abstract = "The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard-Peierls model (with parameters (Formula presented) and bond alternation δ) to study the ordering of the lowest one-photon (Formula presented) and two-photon (Formula presented) states in one-dimensional conjugated systems with chain lengths (Formula presented) up to (Formula presented) sites. Three different types of crossovers are studied, as a function of (Formula presented) δ, and (Formula presented) The “(Formula presented) crossover” emphasizes the larger ionic character of the (Formula presented) state compared to the lowest triplet excitation. The “δ crossover” shows strong dependence on both (Formula presented) and (Formula presented) the “(Formula presented) crossover” illustrates the more localized nature of the (Formula presented) excitation relative to the (Formula presented) excitation at intermediate correlation strengths.",

author = "Z. Shuai and J. Br{\'e}das and S. Pati and S. Ramasesha",

year = "1997",

doi = "10.1103/PhysRevB.56.9298",

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journal = "Physical Review B - Condensed Matter and Materials Physics",

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T1 - Quantum-confinement effects on the ordering of the lowest-lying excited states in conjugated chains

AU - Shuai, Z.

AU - Brédas, J.

AU - Pati, S.

AU - Ramasesha, S.

PY - 1997

Y1 - 1997

N2 - The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard-Peierls model (with parameters (Formula presented) and bond alternation δ) to study the ordering of the lowest one-photon (Formula presented) and two-photon (Formula presented) states in one-dimensional conjugated systems with chain lengths (Formula presented) up to (Formula presented) sites. Three different types of crossovers are studied, as a function of (Formula presented) δ, and (Formula presented) The “(Formula presented) crossover” emphasizes the larger ionic character of the (Formula presented) state compared to the lowest triplet excitation. The “δ crossover” shows strong dependence on both (Formula presented) and (Formula presented) the “(Formula presented) crossover” illustrates the more localized nature of the (Formula presented) excitation relative to the (Formula presented) excitation at intermediate correlation strengths.

AB - The symmetrized density-matrix renormalization-group approach is applied within the extended Hubbard-Peierls model (with parameters (Formula presented) and bond alternation δ) to study the ordering of the lowest one-photon (Formula presented) and two-photon (Formula presented) states in one-dimensional conjugated systems with chain lengths (Formula presented) up to (Formula presented) sites. Three different types of crossovers are studied, as a function of (Formula presented) δ, and (Formula presented) The “(Formula presented) crossover” emphasizes the larger ionic character of the (Formula presented) state compared to the lowest triplet excitation. The “δ crossover” shows strong dependence on both (Formula presented) and (Formula presented) the “(Formula presented) crossover” illustrates the more localized nature of the (Formula presented) excitation relative to the (Formula presented) excitation at intermediate correlation strengths.

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JF - Physical Review B - Condensed Matter and Materials Physics

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Quantum-confinement effects on the ordering of the lowest-lying excited states in conjugated chains

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