Computing the Optical Properties of Large Systems

Language: English

Published by Springer, 2015

331919769X / 9783319197692

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Druck auf Anfrage Neuware - Printed after ordering - 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.

Seller Inventory # 9783319197692

Title
Computing the Optical Properties of Large Systems
Author
Tim Joachim Zuehlsdorff
Publisher
Springer
Publication year
2015
Condition
Neu
Binding
Buch
Language
English
ISBN 10
331919769X
ISBN 13
9783319197692
Item weight
477 grams
Dimensions
241x160x17 mm

AHA-BUCH GmbH

Einbeck, Germany

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