NONUNIFORM NUMERICAL GRID FOR THE NUMERICAL SOLUTION OF THE SCHRÖDINGER EQUATION
Keywords:
ab initio solution of Schrödinger equation, numerical grid optimization, harmonic oscillator.Abstract
In the present work the numerical grids used during the numerical solution of the Schrödinger equation will be investigated. It will be shown, that by employing a nonuniform optimized numerical grid the number of gridpoints and implicitly the computational effort for the solution of the Schrödinger equation can be significantly reduced. As a test system the harmonic oscillator, and the finite-elements discrete variable representation (FEDVR) numerical will be used, but the obtained results can be extended to other systems and numerical grids too.
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