Computing the Optical Properties of Large Systems (Hardcover, 2015 ed.)

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.

General

Imprint:	Springer International Publishing AG
Country of origin:	Switzerland
Series:	Springer Theses
Release date:	June 2015
First published:	2015
Authors:	Tim Joachim Zuehlsdorff
Dimensions:	235 x 155 x 13mm (L x W x T)
Format:	Hardcover - Cloth over boards
Pages:	188
Edition:	2015 ed.
ISBN-13:	978-3-319-19769-2
Categories:	Books > Science & Mathematics > Physics > Nuclear structure physics Books > Science & Mathematics > Mathematics > Applied mathematics > General Books > Science & Mathematics > Chemistry > Analytical chemistry > Qualitative analytical chemistry > Chemical spectroscopy, spectrochemistry > General
LSN:	3-319-19769-X
Barcode:	9783319197692

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