Title Computing the Optical Properties of Large Systems Author(s) Zuehlsdorff, Tim Joachim Publication Cham, Springer International Publishing, 2015. Description XIV, 188 p. 31 illus., 14 illus. in color : online resource Abstract Note 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.?? ISBN,Price 9783319197708 Keyword(s) 1. Atomic structure???? 2. Atomic/Molecular Structure and Spectra 3. EBOOK 4. EBOOK - SPRINGER 5. Molecular structure?? 6. Numerical and Computational Physics, Simulation 7. PHYSICS 8. SOLID STATE PHYSICS Item Type eBook Multi-Media Links Please Click here for eBook Circulation Data Accession#   Call# Status Issued To Return Due On Physical Location I06636     On Shelf