RECENT POSTS
Erd
May 26, 2018
AcesIII electron repulsion integrals
Efficient electronic integrals in quantum chemistry, and their generalized derivatives for object oriented implementations of electronic structure calculations.
Based on the paper
- http//onlinelibrary.wiley.com/doi/10.1002/jcc.21018/abstract
WWW https//github.com/psi4/erd
- Older
- Newer