Current state of the art in TDDFT code
Abstract
We present a TDDFT code developed in the framework of NOSSI project. The code is capable to compute absorption spectra in linear response regime. The method for calculating of the Kohn-Sham response function is outlined. Complexity of the method is discussed in detail. Testing of the shared memory parallelization and examples of spectra are given.
Keywords
The Kohn-Sham response function. Shared memory parallelization. Time-dependent density functional theory (TDDFT) in linear response regime. Absorption spectra. Iterative method for computing of the spectra
The Kohn-Sham response function. Shared memory parallelization. Time-dependent density functional theory (TDDFT) in linear response regime. Absorption spectra. Iterative method for computing of the spectra.
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