Configuration-interaction and Hylleraas configuration-interaction methods in valence-bond theory: Calculation of the nuclear shielding constant for the ground state of the hydrogen molecule.
作者： Jacek Komasa , Wojciech Cencek , Jacek Rychlewski
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摘要: Values of the magnetic shielding constant in ground state hydrogen molecule are calculated using explicitly correlated Gaussian functions. The total at equilibrium amounts to 26.73 ppm.
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