Overview

This work addresses the computation of excited-state properties of systems containing thousands of atoms. To achieve this, the author combines the linear response formulation of time-dependent density functional theory (TDDFT) with linear-scaling techniques known from ground-state density-functional theory. This extends the range of TDDFT, which on its own cannot tackle many of the large and interesting systems in materials science and computational biology. The strengths of the approach developed in this work are demonstrated on a number of problems involving large-scale systems, including exciton coupling in the Fenna-Matthews-Olson complex and the investigation of low-lying excitations in doped p-terphenyl organic crystals.

Full Product Details

Author:   Tim Joachim Zuehlsdorff
Publisher:   Springer International Publishing AG
Imprint:   Springer International Publishing AG
Edition:   2015 ed.
Dimensions:   Width: 15.50cm , Height: 1.30cm , Length: 23.50cm
Weight:   4.321kg
ISBN:  

9783319197692

ISBN 10:   331919769
Pages:   188
Publication Date:   25 June 2015
Audience:   College/higher education ,  Professional and scholarly ,  Postgraduate, Research & Scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Active
Availability:   Manufactured on demand  
We will order this item for you from a manufactured on demand supplier.

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