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High precision variational calculations for the Born-Oppenheimer energies of the ground state of the hydrogen molecule
2006
Journal of Chemical Physics
Born-Oppenheimer approximation Hylleraas (Hy) variational calculations with up to 7034 expansion terms are reported for the 1 Σ + g ground state of neutral hydrogen at various internuclear distances. The nonrelativistic energy is calculated to be −1.1744 7571 4220(1) hartree at R= 1.4 bohr, which is 4 orders of magnitude better than the best previous Hylleraas calculation, that of Wolniewicz[1]. This result agrees well with the best previous variational energy, −1.1744 7571 4216 hartree, of
doi:10.1063/1.2173250
pmid:16526839
fatcat:t6oab4ondfebxj3gjgavx4qroe