Confinement effects on the diatomic interaction potential

Abstract

Confinement effects on the interaction potential between two ground-state hydrogen atoms located inside a hard spheroidal box and with varying internuclear separations R are presented. The results of this work point to a redefinition of the calculation of binary interactions when two atomic systems are initially submitted to spatial limitation by physical or geometric boundaries. This unique characteristic of spatial confinement points to a necessary revision of the calculation of vibrational and rotational properties of diatomic molecules inside nanometric cages.