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.

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

RTBSE : Example calculation of Ethene #2

Open
wants to merge 1 commit into
base: master
Choose a base branch
from

Conversation

StepanMarek
Copy link

Simple example calculation for the determination of optical spectrum of ethene, with medium time of propagation. The resulting spectrum is comparable to the Casida BSE equation calculated spectrum within the CP2K, with only few differences, making this a meaningful example.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant