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Computing the Optical Properties of Large Systems
Tim Zuehlsdorff
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Description for Computing the Optical Properties of Large Systems
Paperback. Series: Springer Theses. Num Pages: 202 pages, 17 black & white illustrations, 14 colour illustrations, biography. BIC Classification: PHN; PHU; PNFS. Category: (P) Professional & Vocational. Dimension: 235 x 155 x 11. Weight in Grams: 320.
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.
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
Format
Paperback
Publication date
2016
Publisher
Springer International Publishing AG Switzerland
Number of pages
202
Condition
New
Series
Springer Theses
Number of Pages
188
Place of Publication
Cham, Switzerland
ISBN
9783319370132
SKU
V9783319370132
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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