libgrpp

A library for the evaluation of molecular integrals of the generalized relativistic pseudopotential operator (GRPP) over Gaussian functions.

Github

A.V. Oleynichenko, A. Zaitsevskii, N.S. Mosyagin, A.N. Petrov, E. Eliav, A.V. Titov, LIBGRPP: A Library for the Evaluation of Molecular Integrals of the Generalized Relativistic Pseudopotential Operator over Gaussian Functions, Symmetry, 15, 1 (2023)