Description:

Libint library is used to evaluate the traditional (electron
repulsion) and certain novel two-body matrix elements (integrals) over
Cartesian Gaussian functions operative in modern atomic and molecular
theory. It is specifically designed with high efficiency on
(super)scalar computer architectures in mind. Libint has been utilized
to implement methods such as Hartree-Fock (HF) and Kohn-Sham density
functional theory (KS DFT), second-order Moller-Plesset perturbation
theory (MP2), coupled cluster singles and doubles (CCSD) method, as
well as the lesser known highly accurate linear R12 second-order
Moller-Plesset theory (MP2-R12).