Mapped Grid Methods Applied to the Slow Variable Discretization--Enhanced Renormalized Numerov Approach

The Journal of Physical Chemistry. a
Juan BlandonChristopher Madrid

Abstract

We introduce a hyperspherical coordinate mapping procedure to the slow variable discretization-enhanced renormalized Numerov method that allows for more accurate and cost-effective calculations of cold and ultracold atom-dimer scattering. The mapping procedure allows optimization of the numerical grid point spacing by adjusting to the shape of the interaction potential. We show results for elastic scattering in HeH2 and compare the results to previous MOLSCAT calculations by Forrey et al. [ Phys. Rev. A 1999, 59, 2146 ].

References

Jul 23, 2004·The Journal of Chemical Physics·K WillnerF Masnou-Seeuws
Apr 28, 2009·Physical Review Letters·Juan Blandon, Viatcheslav Kokoouline
Oct 30, 2010·Physical Chemistry Chemical Physics : PCCP·Helge LemmetyinenMarja Niemi
Feb 17, 2011·The Journal of Chemical Physics·Hiroya Suno
Aug 20, 2014·The Journal of Chemical Physics·Annalise L Van WyngardenKristie A Boering

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