ISBN: 9783319370132 - computing the optical properties of large systems (13 risultati)

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Condizione: New. pp. 202 Softcover reprint of the original 1st ed. 2015 edition NO-PA16APR2015-KAP.

Taschenbuch. Condizione: Neu. 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.…

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Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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. 204 pp. Englisch.…

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Nominated as an outstanding Ph.D. thesis by Imperial College London, UKPresents a full introduction to density-functional theory (DFT) and time-dependent DFT with a special focus on standard algorithms used in the communityProvides an intro.…

Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -This work addresses the computation of excited-state properties of systems containing thousands of atoms. To achieve this, the author combines thelinear response formulation of time-dependent density functional theory (TDDFT) with linear-scaling techniques known from ground-state density-functional theory. Thisextends the rangeof TDDFT, which on its own cannot tacklemany of the large and interesting systems in materials science and computational biology. The strengths of theapproach 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.Springer-Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 204 pp. Englisch.…

Condizione: New. Print on Demand pp. 202.

Condizione: New. PRINT ON DEMAND pp. 202.