Komasa, JacekCencek, Wojciech2010-05-202010-05-202004Computational Methods in Science and Technology vol. 9, 2003, pp. 79-921505-0602http://hdl.handle.net/10593/371The Born-Oppenheimer (BO) potential energy curve, the adiabatic and the relativistic corrections for the EF state of the hydrogen molecule are calculated for the internuclear distances ranging from 0.01 to 20 bohr. 600-term variational expansions of exponentially correlated Gaussian (ECG) functions are used. The BO energies and the adiabatic corrections are more accurate than previously reported and the relativistic calculations confirm existing literature values.enhydrogen moleculeexplicitly correlated GaussiansEF stateadiabatic correctiondirect perturbation theoryrelativistic correctionsArtykuł