We develop a simple, yet powerful approach to constructing discrete variable representations for the solution of quantum mechanical problems by focusing on properties of the underlying basis set. Two examples, one involving fixed-node boundary conditions and the other periodic boundary conditions, are explicitly derived and applied to a problem in spherical polar coordinates with azimuthal symmetry. These two DVRs have equally spaced points and equal weights.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry