Computing the Optical Properties of - E-book

eBook

Computing The Optical Properties Of Large Systems - ENG

Tim Joachim Zuehlsdorff

eBook

$1,980.00

Disponible

Información adicional
Sinopsis

ISBN:	9783319197708
Formato:	Page Fidelity
Idioma:	Inglés
Editorial:	Springer Nature
Tema:	Ciencia
Subtema:	Física matemática y computacional
Año de publicación:	2015-06-05

This work addresses the computation of excited-state properties of systems containing thousands of atoms. To achieve this, the author combines theÂ linear response formulation of time-dependent density functional theory (TDDFT) with linear-scaling techniques known from ground-state density-functional theory. ThisÂ extends the rangeÂ of TDDFT, which on its own cannot tackleÂ many of the large and interesting systems in materials science and computational biology. The strengths of theÂ 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.

eBooks