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

Added Mathematica notebook with examples of the modified integrals. #286

Open

crisely09 wants to merge 1 commit into theochem:master from crisely09:ints_tests

Contributor

crisely09 commented Sep 26, 2018

The examples include electron-repulsion integrals:

Error function
Gaussian function
Arbitrary power of r^a, for a<3
Delta function
Intracule (delta) integrals
and nuclear-electron attraction integrals:
Error function
Gaussian function

The Mathematica notebook has one example per type of integral.


          Added Mathematica notebook with examples of the modified integrals.

2984bbb

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet