(Q57394977)

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Electronic structure and excitations in oligoacenes from ab initio calculations

article published in 2006

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Electronic structure and excitations in oligoacenes from ab initio calculations (English)

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Angel Rubio

3

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author name string

Eugene S. Kadantsev

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1

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M. J. Stott

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2

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language of work or name

English

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publication date

7 April 2006

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published in

Journal of Chemical Physics

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volume

124

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issue

13

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page(s)

134901

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Polyacene and cyclacene geometries and electronic structures: bond equalization, vanishing band gaps, and triplet ground states contrast with polyacetylene

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Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

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Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

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A Semi‐Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I

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Electronic excitations: density-functional versus many-body Green’s-function approaches

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Adiabatic time-dependent density functional methods for excited state properties

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Identifiers

DOI

10.1063/1.2186999

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PubMed publication ID

16613471

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(Q57394977)

Electronic structure and excitations in oligoacenes from ab initio calculations

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