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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