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Title: A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules

Authors:
 [1];  [2];  [3]
  1. CEA, DEN, Service de Recherches de Métallurgie Physique, F-91191 Gif-sur-Yvette, France, Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Physics, University of California, Berkeley, California 94720, USA
  2. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Physics, University of California, Berkeley, California 94720, USA, Department of Chemistry, University of California, Berkeley, California 94720, USA, Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720, USA
  3. Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Physics, University of California, Berkeley, California 94720, USA, Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1228638
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 142 Journal Issue: 24; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Bruneval, Fabien, Hamed, Samia M., and Neaton, Jeffrey B. A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules. United States: N. p., 2015. Web. doi:10.1063/1.4922489.
Bruneval, Fabien, Hamed, Samia M., & Neaton, Jeffrey B. A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules. United States. doi:10.1063/1.4922489.
Bruneval, Fabien, Hamed, Samia M., and Neaton, Jeffrey B. Sun . "A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules". United States. doi:10.1063/1.4922489.
@article{osti_1228638,
title = {A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules},
author = {Bruneval, Fabien and Hamed, Samia M. and Neaton, Jeffrey B.},
abstractNote = {},
doi = {10.1063/1.4922489},
journal = {Journal of Chemical Physics},
number = 24,
volume = 142,
place = {United States},
year = {Sun Jun 28 00:00:00 EDT 2015},
month = {Sun Jun 28 00:00:00 EDT 2015}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.4922489

Citation Metrics:
Cited by: 42 works
Citation information provided by
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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
journal, November 1994

  • Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.
  • The Journal of Physical Chemistry, Vol. 98, Issue 45, p. 11623-11627
  • DOI: 10.1021/j100096a001