Full CI ground state potential energy curves and one-electron relativistic corrections for hydrogen molecule in various basis sets

This dataset consists of Full CI ground state Born-Oppenheimer potential energy curves and one-electron relativistic corrections for hydrogen dimer. Nonrelativistic energies, as well as one electron relativistic corrections (treated perturbatively with help of the Cowan-Griffin Hamiltonian) are presented for internuclear distances between 0.8 and 10 atomic units. Results are calculated using correlation consistent basis set ranging from double to quintuple zeta and including augmentation. Differences between calculated potentials and exact results from high–precision methods are also present.