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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Computing the Optical Properties of Large Systems

Computing the Optical Properties of Large Systems

Zuehlsdorff, Tim Joachim

Paperback

Series: Springer Theses

Physics

ISBN10: 3319370138
ISBN13: 9783319370132
Publisher: Springer Nature
Published: Oct 15 2016
Pages: 188
Weight: 0.64
Height: 0.43 Width: 6.14 Depth: 9.21
Language: English
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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