Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme
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Bester Preis: € 2,34 (vom 30.07.2020)1
Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme
~EN NW EB DL
ISBN: 9783658312817 bzw. 3658312815, vermutlich in Englisch, Springer Shop, neu, E-Book, elektronischer Download.
Lieferung aus: Österreich, Lagernd, zzgl. Versandkosten.
Maximilian Scheurer presents a method for modeling excited states in atomistic, heterogeneous environments. The method utilizes the polarizable embedding (PE) model to mimic electrostatic and polarization interactions of a molecule with its environment. For high-level modeling of the molecule’s excited states, the algebraic-diagrammatic construction scheme for the polarization propagator (ADC) is employed. The presented work outlines the theoretical foundations of PE and ADC and the combination of both methods, termed PE-ADC. The accuracy of PE-ADC is tested, and the charge-transfer (CT) excitation in the dodecin protein is studied. This book presents a comprehensive elaboration on the new PE-ADC method and a state-of-the-art application of PE-ADC to a photo-biochemical process. eBook.
Maximilian Scheurer presents a method for modeling excited states in atomistic, heterogeneous environments. The method utilizes the polarizable embedding (PE) model to mimic electrostatic and polarization interactions of a molecule with its environment. For high-level modeling of the molecule’s excited states, the algebraic-diagrammatic construction scheme for the polarization propagator (ADC) is employed. The presented work outlines the theoretical foundations of PE and ADC and the combination of both methods, termed PE-ADC. The accuracy of PE-ADC is tested, and the charge-transfer (CT) excitation in the dodecin protein is studied. This book presents a comprehensive elaboration on the new PE-ADC method and a state-of-the-art application of PE-ADC to a photo-biochemical process. eBook.
2
Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme
DE NW EB
ISBN: 9783658312817 bzw. 3658312815, in Deutsch, Springer-Verlag GmbH, neu, E-Book.
Lieferung aus: Deutschland, Versandkostenfrei, In stock (Download).
Die Beschreibung dieses Angebotes ist von geringer Qualität oder in einer Fremdsprache. Trotzdem anzeigen
Die Beschreibung dieses Angebotes ist von geringer Qualität oder in einer Fremdsprache. Trotzdem anzeigen
3
Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme
DE NW EB
ISBN: 9783658312817 bzw. 3658312815, in Deutsch, Springer-Verlag GmbH, Springer-Verlag GmbH, neu, E-Book.
Lieferung aus: Deutschland, Versandkostenfrei, in stock.
Die Beschreibung dieses Angebotes ist von geringer Qualität oder in einer Fremdsprache. Trotzdem anzeigen
Die Beschreibung dieses Angebotes ist von geringer Qualität oder in einer Fremdsprache. Trotzdem anzeigen
4
Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme (2020)
~EN NW FE EB DL
ISBN: 9783658312817 bzw. 3658312815, vermutlich in Englisch, Springer Spektrum, neu, Erstausgabe, E-Book, elektronischer Download.
Lieferung aus: Deutschland, Download sofort lieferbar.
Investigating Photoexcitations in Large Biomolecular Systems, eBooks, eBook Download (PDF), Auflage.
Investigating Photoexcitations in Large Biomolecular Systems, eBooks, eBook Download (PDF), Auflage.
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