Precise non-variational calculation of the ?dt molecular ion

Abstract

Direct solutions of the Schrodinger equation for the ground and excitedS-states of the μdt molecular ion are obtained with the correlation-function hyperspherical-harmonic method. The method generates locally correct wave functions that lead to precise expectation values of the Hamiltonian and of different functions of interparticle distances. The nonlinear correlation factor used in the present work is chosen to provide a proper description of asymptotic behaviour and cusp singularities in all variables. The calculations are compared with our previous CFHH calculations with the linear correlation factor (which accounts only for the μd and μt cusp structure) and with other precision computations. Significant improvements over the linear correlation factor are found, with values of some observables having comparable or better accuracy than in the current literature.