Geometry and dissociation energy of He 3+

Abstract

Main features of the recently observed triatomic helium ion He 3 + are investigated, using SCF and CI treatments with a reasonably detailed basis set of gaussian orbitals. The ion geometry is found to be linear and symmetrical (nuclear spacing: 2.33 bohr). The calculated vibrational constants of the three fundamental modes are in satisfactory agreement with the only previously reported calculation. Our value of the dissociation energy ( D 0 = 0.0 eV) is smaller than Patterson's experimental determination (0.17 eV).