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Learn time-dependent density functional perturbation theory (TD-DFPT) and its applications in spectroscopy calculations through this comprehensive lecture delivered by Dr. Ralph Gebauer at the 2017 ICTP workshop. Explore the theoretical foundations of TD-DFPT as an extension of ground-state density functional theory to excited states and time-dependent phenomena. Discover how this powerful computational method enables the calculation of optical absorption spectra, electron energy loss spectroscopy (EELS), and other spectroscopic properties of materials from first principles. Examine the mathematical formalism underlying TD-DFPT, including the linear response approach and the solution of the time-dependent Kohn-Sham equations. Understand the practical implementation aspects and computational considerations when applying TD-DFPT to real materials systems. Gain insights into the advantages and limitations of this approach compared to other methods for calculating excited-state properties, and learn about recent developments and applications in materials science research.
