Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme : Investigating Photoexcitations in Large Biomolecular Systems
1st ed. 2020
Book Details
Format
Paperback / Softback
Book Series
BestMasters
ISBN-10
3658312807
ISBN-13
9783658312800
Edition
1st ed. 2020
Publisher
Springer Fachmedien Wiesbaden
Imprint
Springer Spektrum
Country of Manufacture
GB
Country of Publication
GB
Publication Date
Jul 29th, 2020
Print length
97 Pages
Product Classification:
Inorganic chemistryOrganic chemistryQuantum & theoretical chemistry
Ksh 8,100.00
Werezi Extended Catalogue
Delivery in 28 days
Delivery Location
Delivery fee: Select location
Delivery in 28 days
Secure
Quality
Fast
Maximilian Scheurer presents a method for modeling excited states in atomistic, heterogeneous environments. 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.
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.
Get Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme by at the best price and quality guaranteed only at Werezi Africa's largest book ecommerce store. The book was published by Springer Fachmedien Wiesbaden and it has pages.
