화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.120, No.5, 785-792, 2016
Mapped Grid Methods Applied to the Slow Variable Discretization-Enhanced Renormalized Numerov Approach
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].