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First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order.
Prager, Stefan; Zech, Alexander; Aquilante, Francesco; Dreuw, Andreas; Wesolowski, Tomasz A.
Affiliation
  • Prager S; Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany.
  • Zech A; Dèpartement de Chimie Physique, Université de Genève, 30 Quai Ernest-Ansermet, 1211 Genève 4, Switzerland.
  • Aquilante F; Dipartimento di Chimica "G. Ciamician," Università di Bologna, Via Selmi 2, 40126 Bologna, Italy.
  • Dreuw A; Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany.
  • Wesolowski TA; Dèpartement de Chimie Physique, Université de Genève, 30 Quai Ernest-Ansermet, 1211 Genève 4, Switzerland.
J Chem Phys ; 144(20): 204103, 2016 May 28.
Article in En | MEDLINE | ID: mdl-27250275
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Electrons / Environment / Models, Chemical Language: En Journal: J Chem Phys Year: 2016 Document type: Article Affiliation country: Germany
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Electrons / Environment / Models, Chemical Language: En Journal: J Chem Phys Year: 2016 Document type: Article Affiliation country: Germany