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

Author:

Liu Chi1,Kloppenburg Jan2,Yao Yi34ORCID,Ren Xinguo5ORCID,Appel Heiko6,Kanai Yosuke3ORCID,Blum Volker14ORCID

Affiliation:

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

4. Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA

5. CAS Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei, Anhui 230026, China

6. Max Planck Institute for the Structure and Dynamics of Matter, Center for Free Electron Laser Science, 22761 Hamburg, Germany

Funder

National Science Foundation

U.S. Department of Energy

National Natural Science Foundation of China

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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