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Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks.
Tahir, Muhammad N; Zhu, Tong; Shang, Honghui; Li, Jia; Blum, Volker; Ren, Xinguo.
Affiliation
  • Tahir MN; Guangdong Provincial Key Laboratory of Thermal Management Engineering and Materials, Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen, 518055, China.
  • Zhu T; Department of Chemistry, Duke University, Durham, North Carolina 27708, United States.
  • Shang H; State Key Laboratory of Computer Architecture, Institute of Computing Technology, Chinese Academy of Sciences, Beijing, 100190, China.
  • Li J; Guangdong Provincial Key Laboratory of Thermal Management Engineering and Materials, Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen, 518055, China.
  • Blum V; Thomas Lord Department of Chemistry, Duke University, Durham, North Carolina 27708, United States.
  • Ren X; Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, United States.
J Chem Theory Comput ; 18(9): 5297-5311, 2022 Sep 13.
Article in En | MEDLINE | ID: mdl-35959556
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Clinical_trials / Prognostic_studies Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article Affiliation country: Country of publication:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Clinical_trials / Prognostic_studies Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article Affiliation country: Country of publication: