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Molecular second-quantized Hamiltonian: Electron correlation and non-adiabatic coupling treated on an equal footing.
Sibaev, Marat; Polyak, Iakov; Manby, Frederick R; Knowles, Peter J.
Affiliation
  • Sibaev M; School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, United Kingdom.
  • Polyak I; School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, United Kingdom.
  • Manby FR; School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, United Kingdom.
  • Knowles PJ; School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, United Kingdom.
J Chem Phys ; 153(12): 124102, 2020 Sep 28.
Article in En | MEDLINE | ID: mdl-33003738
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: Country of publication:
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: Country of publication: