- We will send in 10–14 business days.
/images/books/13226548/9783658312800.jpg)
- Author: Maximilian Scheurer
- Publisher: Springer Spektrum
- ISBN-10: 3658312807
- ISBN-13: 9783658312800
- Format: 14.8 x 21 x 0.7 cm, minkšti viršeliai
- Language: English
- SAVE -10% with code: EXTRA
Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme (e-book) (used book) | bookbook.eu
Reviews
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.
EXTRA 10 % discount with code: EXTRA
The promotion ends in 22d.20:44:39
The discount code is valid when purchasing from 10 €. Discounts do not stack.
- Author: Maximilian Scheurer
- Publisher: Springer Spektrum
- ISBN-10: 3658312807
- ISBN-13: 9783658312800
- Format: 14.8 x 21 x 0.7 cm, minkšti viršeliai
- Language: English English
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.
Reviews