Computing the Optical Properties of Large Systems

Name: Computing the Optical Properties of Large Systems
Brand: Springer International Publishing AG
SKU: 9783319370132
Price: 105.3 EUR
Availability: InStock

Автор: Tim Zuehlsdorff

Език:

Корици: С меки корици

Издател: Springer International Publishing AG

Наличност: Външен склад

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This work addresses the computation of excited-state properties of systems containing thousands of a...

Информация за книгата

Автор

Tim Zuehlsdorff

Език

Английски език

Корици

Книга - С меки корици

Издадена

2016

страници

188

EAN

9783319370132

ISBN

3319370138

Enbook ID

15194089

Издател

Springer International Publishing AG

Теглоt

3168

Размери

155 x 235 x 12

Пълно описание

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.

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Computing the Optical Properties of Large Systems

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