{"product_id":"polarizable-embedding-for-the-algebraic-diagrammatic-construction-scheme-investigating-photoexcitations-in-large-biomolecular-systems-von-maximilian-scheurer","title":"Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme","description":"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.\u003cdiv class=\"aw-variant-hidden-subtitle-div\" id=\"aw-variant-subtitle-9783658312800\"\u003e\u003ch3\u003eInvestigating Photoexcitations in Large Biomolecular Systems\u003c\/h3\u003e\u003c\/div\u003e","brand":"Libri","offers":[{"title":"Softcover - 9783658312800","offer_id":39439784869981,"sku":"9783658312800","price":53.49,"currency_code":"EUR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0940\/0622\/files\/3040b869-d4c2-4a29-8669-1a0f31283642.jpg?v=1775709796","url":"https:\/\/shop.autorenwelt.de\/products\/polarizable-embedding-for-the-algebraic-diagrammatic-construction-scheme-investigating-photoexcitations-in-large-biomolecular-systems-von-maximilian-scheurer","provider":"Autorenwelt Shop","version":"1.0","type":"link"}