mirror of
https://github.com/QuantumPackage/qp2.git
synced 2025-05-07 07:35:05 +02:00
================== ao_one_e_integrals ================== All the one-electron integrals in the |AO| basis are here. The most important providers for usual quantum-chemistry calculation are: * `ao_kinetic_integrals` which are the kinetic operator integrals on the |AO| basis * `ao_integrals_n_e` which are the nuclear-elctron operator integrals on the |AO| basis * `ao_one_e_integrals` which are the the h_core operator integrals on the |AO| basis