Finite Space Complete Basis Method: Precision Computation of High-Resolution Spectrum near Ionization Threshold

A new method is proposed to describe quantum dynamical processes in finite space by using of a set of discretized complete bases. In this method, the finite space complete basis is obtained by solving the self-consistent field equation with reflecting boundary conditions. Hence, both negative and positive orbital energies can be obtained. Such method can be used in systems which involve dynamics only in the reaction zone, i.e., in a finite space. To illustrate the validity of the method, we present two examples: theoretical calculation of the high excited states spectra including the continuum of sodium and barium