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Introduction
Hybrid Time-Dependent Density Functional Theory in CASTEP: a dCSE Project
Dominik B. Jochym
STFC Rutherford Appleton Laboratory
Introduction
Testbed implementation of TDDFT
Initial demonstration implementation of Hutter Solver
Results
Implementation of parallel distribution solver for true HPC use on HECToR
Comparison of Solvers
Parallel benchmark
Demonstration calculation of an optical spectrum
Hybrid TDDFT
Results
Feature list of current code
Bibliography
About this document ...
Dominik Jochym 2010-07-20
