A three-dimensional study of the ClHCl dynamics using the light—heavy nucleus Born—Oppenheimer separation

Abstract

The Born—Oppenheimer type separation between the light and heavy nuclear motions is applied to the dynamics of the ClHCl system. Among the hydrogenic states which describe the motion of the H atom for clamped chlorine nuclei, certain specific states are shown to explain the main structures of the photodetachment spectrum of ClHCl −. Three resonances are obtained at scattering energies SE=0.639, 0.899 and 0.932 eV and are analyzed in terms of the normal modes of a linear symmetrical triatomic molecule. The calculated photodetachment spectrum is compared to previous theoretical and experimental data.