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Title: All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals

Authors:
 [1];  [2]; ORCiD logo [3]; ORCiD logo [4];  [5]; ORCiD logo [6]; ORCiD logo [7]
  1. Department of Chemistry, Duke University, Durham, North Carolina 27708, USA
  2. Institute of Condensed Matter and Nanoscience, Université Catholique de Louvain, Louvain-la-Neuve 1348, Belgium
  3. Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27599, USA, Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA
  4. CAS Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei, Anhui 230026, China
  5. Max Planck Institute for the Structure and Dynamics of Matter, Center for Free Electron Laser Science, 22761 Hamburg, Germany
  6. Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27599, USA
  7. Department of Chemistry, Duke University, Durham, North Carolina 27708, USA, Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1594200
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 4; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Liu, Chi, Kloppenburg, Jan, Yao, Yi, Ren, Xinguo, Appel, Heiko, Kanai, Yosuke, and Blum, Volker. All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals. United States: N. p., 2020. Web. doi:10.1063/1.5123290.
Liu, Chi, Kloppenburg, Jan, Yao, Yi, Ren, Xinguo, Appel, Heiko, Kanai, Yosuke, & Blum, Volker. All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals. United States. doi:10.1063/1.5123290.
Liu, Chi, Kloppenburg, Jan, Yao, Yi, Ren, Xinguo, Appel, Heiko, Kanai, Yosuke, and Blum, Volker. Fri . "All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals". United States. doi:10.1063/1.5123290.
@article{osti_1594200,
title = {All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals},
author = {Liu, Chi and Kloppenburg, Jan and Yao, Yi and Ren, Xinguo and Appel, Heiko and Kanai, Yosuke and Blum, Volker},
abstractNote = {},
doi = {10.1063/1.5123290},
journal = {Journal of Chemical Physics},
number = 4,
volume = 152,
place = {United States},
year = {2020},
month = {1}
}

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