Symmetry adapted DVR approach using Cartesian basis

Abstract A discrete variable representation (DVR) approach in the framework of the 2D Cartesian basis is studied to take into account the symmetry of both the potential and the basis. Three cases are analyzed: a rectangular well potential, where the basis carries the symmetry of the system, the circular potential, where the DVR points are not compatible with the boundary conditions of the potential, and a quartic potential in Cartesian coordinates. A truncation method of the basis is also proposed to assure rapid convergence. The computational time and memory involved in the calculations are drastically reduced when compared to previous analysis where the symmetry was taken into account using a different approach.