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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
https://hal.inria.fr/inria-00437612
Contributor : Petr Koval <>
Submitted on : Tuesday, December 1, 2009 - 9:30:47 AM
Last modification on : Monday, May 4, 2020 - 11:40:19 AM
Long-term archiving on: : Tuesday, October 16, 2012 - 3:06:55 PM
Contributor : Petr Koval <>
Submitted on : Tuesday, December 1, 2009 - 9:30:47 AM
Last modification on : Monday, May 4, 2020 - 11:40:19 AM
Long-term archiving on: : Tuesday, October 16, 2012 - 3:06:55 PM
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