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Více informací o knize Computing the Optical Properties of Large Systems

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Anotace knihy

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.§

Parametry knihy

Zařazení knihy Knihy v angličtině Mathematics & science Chemistry Analytical chemistry

• Plný název: Computing the Optical Properties of Large Systems
• Autor: Tim Joachim Zuehlsdorff
• Jazyk: Angličtina
• Vazba: Pevná
• Počet stran: 188
• EAN: 9783319197692
• ISBN: 331919769X
• ID: 09296342
• Nakladatelství: Springer International Publishing AG
• Hmotnost: 4321 g
• Rozměry: 235 × 155 × 242 mm
• Datum vydání: 06. June 2015

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