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Title: First-principles calculation of excited states of diatomic molecules: a benchmark for the Gutzwiller conjugate gradient minimisation method

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1];  [2]
  1. Ames Laboratory – US DOE and Department of Physics and Astronomy, Iowa State University, Ames, IA, USA
  2. Ames Laboratory – US DOE and Department of Physics and Astronomy, Iowa State University, Ames, IA, USA; Hefei National Laboratory for Physical Sciences at Microscale, International Center for Quantum Design of Functional Materials (ICQD) and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, People’s Republic of China
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1603673
Report Number(s):
[IS-J 10173]
[Journal ID: ISSN 0026-8976]
Grant/Contract Number:  
[DEAC02-07CH11358]
Resource Type:
Accepted Manuscript
Journal Name:
Molecular Physics
Additional Journal Information:
[Journal Name: Molecular Physics]; Journal ID: ISSN 0026-8976
Country of Publication:
United States
Language:
English

Citation Formats

Ye, Zhuo, Yao, Yong-Xin, Wang, Cai-Zhuang, and Ho, Kai-Ming. First-principles calculation of excited states of diatomic molecules: a benchmark for the Gutzwiller conjugate gradient minimisation method. United States: N. p., 2020. Web. doi:10.1080/00268976.2020.1734243.
Ye, Zhuo, Yao, Yong-Xin, Wang, Cai-Zhuang, & Ho, Kai-Ming. First-principles calculation of excited states of diatomic molecules: a benchmark for the Gutzwiller conjugate gradient minimisation method. United States. doi:10.1080/00268976.2020.1734243.
Ye, Zhuo, Yao, Yong-Xin, Wang, Cai-Zhuang, and Ho, Kai-Ming. Sat . "First-principles calculation of excited states of diatomic molecules: a benchmark for the Gutzwiller conjugate gradient minimisation method". United States. doi:10.1080/00268976.2020.1734243.
@article{osti_1603673,
title = {First-principles calculation of excited states of diatomic molecules: a benchmark for the Gutzwiller conjugate gradient minimisation method},
author = {Ye, Zhuo and Yao, Yong-Xin and Wang, Cai-Zhuang and Ho, Kai-Ming},
abstractNote = {},
doi = {10.1080/00268976.2020.1734243},
journal = {Molecular Physics},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {2}
}

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