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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