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Support TD-DFT calculations in ORCA

Open RaphaelRobidas opened this issue 1 year ago • 0 comments

Description of the desired feature TD-DFT calculations can be used to calculate UV-Vis spectra. This feature is supported in Gaussian, but not in ORCA.

Relevant documentation or examples Refer to the ORCA manual in the download section of the forums (https://orcaforum.kofo.mpg.de/app.php/portal)

RaphaelRobidas avatar Mar 26 '23 15:03 RaphaelRobidas