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--- howto:tddft [2022/07/18 14:47] – created ahehn
+++ howto:tddft [2024/02/24 10:01] (current) – oschuett
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-====== How to run a LR-TDDFT calculation for absorption and emission spectroscopy ======
+This page has been moved to: https://manual.cp2k.org/trunk/methods/properties/optical/tddft.html
-This is a short tutorial on how to run linear-response TDDFT computations for absorption and emission spectroscopy. The TDDFT module enables a description of excitation energies and excited-state computations within the Tamm-Dancoff approximation (TDA) featuring GGA and hybrid functionals as well as semi-empirical simplified TDA kernels. The details of the implementation can be found in [[https://aip.scitation.org/doi/full/10.1063/1.5078682]] and in [[https://pubs.acs.org/doi/10.1021/acs.jctc.2c00144]] for corresponding excited-state gradients.
-Note that the current module is based on an earlier TDDFT implementation [[https://chimia.ch/chimia/article/view/2005_499]].
-Please cite these papers if you were to use the TDDFT module for excitation energies / excited-state gradients.