Computing the Optical Properties of Large Systems (Springer Theses) (Paperback)

Computing the Optical Properties of Large Systems (Springer Theses) By Tim Joachim Zuehlsdorff Cover Image

Computing the Optical Properties of Large Systems (Springer Theses) (Paperback)

$148.49


Available in Warehouse. Wait for Email Confirmation for ETA
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.
Product Details ISBN: 9783319370132
ISBN-10: 3319370138
Publisher: Springer
Publication Date: October 15th, 2016
Pages: 188
Language: English
Series: Springer Theses