Computing the Optical Properties of Large Systems - Brossura

Zuehlsdorff, Tim Joachim Joachim

 
9783319370132: Computing the Optical Properties of Large Systems
Brossura
ISBN 10: 3319370138 ISBN 13: 9783319370132
Casa editrice: Springer, 2016

Sinossi

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.

Le informazioni nella sezione "Riassunto" possono far riferimento a edizioni diverse di questo titolo.

Dalla quarta di copertina

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.

Le informazioni nella sezione "Su questo libro" possono far riferimento a edizioni diverse di questo titolo.

Editore
Springer
Data di pubblicazione
2016
Lingua
Inglese
ISBN 10 
3319370138
ISBN 13 
9783319370132
Rilegatura
Copertina flessibile
Numero di pagine
204
Contatto del produttore
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Darmstadt
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Germania

Altre edizioni note dello stesso titolo

9783319197692: Computing the Optical Properties of Large Systems

Edizione in evidenza

ISBN 10:  331919769X ISBN 13:  9783319197692
Casa editrice: Springer Nature, 2015
Rilegato