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Exclusion Principle Repulsion Effects on the Covalent Bond Beyond the Born-Oppenheimer Approximation
Sarsa, A.; Alcaraz Pelegrina, José Manuel; Le Sech, C. (Royal Society of Chemistry, 2019)The changes in the covalent bond of the hydrogen molecule limited in the space by a spherical hard boundary are studied. The sphere is moved along an axis parallel or orthogonal to the molecular axis. The diffusion Monte ...