Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Support TD-DFT calculations in ORCA #7

Open
RaphaelRobidas opened this issue Mar 26, 2023 · 0 comments
Open

Support TD-DFT calculations in ORCA #7

RaphaelRobidas opened this issue Mar 26, 2023 · 0 comments
Labels
enhancement Improvement of existing features

Comments

@RaphaelRobidas
Copy link
Collaborator

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 RaphaelRobidas added the enhancement Improvement of existing features label Mar 26, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
enhancement Improvement of existing features
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@RaphaelRobidas