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Exclusion Principle Repulsion Effects on the Covalent Bond Beyond the Born-Oppenheimer Approximation
(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 ...
Stability after confinement of the H atom
(Elsevier, 2019)
The stability of a spherically confined atomic system when confinement is removed is studied. We consider s, p, d, and f states of the Hydrogen atom confined by a finite barrier. The stability is characterized in terms of ...