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Minimal Active Space: NOSCF and NOSI in Multistate Density Functional Theory.
Lu, Yangyi; Zhao, Ruoqi; Zhang, Jun; Liu, Meiyi; Gao, Jiali.
Affiliation
  • Lu Y; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.
  • Zhao R; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.
  • Zhang J; Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin Province130023, China.
  • Liu M; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.
  • Gao J; Institute of Systems and Physical Biology, Shenzhen Bay Laboratory, Shenzhen518055, China.
J Chem Theory Comput ; 18(11): 6407-6420, 2022 Nov 08.
Article in En | MEDLINE | ID: mdl-36287915
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article Affiliation country: China
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2022 Document type: Article Affiliation country: China