Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers

Equilibrium geometries of the ground electronic state of anthracene dimers are obtained using the density functional level of theory with the B97D hybrid functional and the TZVP basis set and their electronic absorption spectra are simulated.

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Bibliographic Details
Published in:Russian physics journal 2014-05, Vol.57 (1), p.95-99
Main Authors: Valiev, R. R., Kopbalina, K. B., Cherepanov, V. N., Ibraev, N. Kh, Mazhenov, N. A.
Format: Article
Language:English
Subjects:
Chemical properties
Condensed Matter Physics
Dielectric films
Hadrons
Heavy Ions
Lasers
Mathematical and Computational Physics
Nuclear Physics
Optical Devices
Optical properties
Optics
Photonics
Physics
Physics and Astronomy
Theoretical
Thin films
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Description
Summary:Equilibrium geometries of the ground electronic state of anthracene dimers are obtained using the density functional level of theory with the B97D hybrid functional and the TZVP basis set and their electronic absorption spectra are simulated.
ISSN:1064-8887
1573-9228
DOI:10.1007/s11182-014-0212-z