Automatic grid construction for few-body quantum mechanical calculations

Vladimir Roudnev; Michael Cavagnero

doi:10.1016/j.cpc.2011.05.003

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arXiv · 1010.1241

Automatic grid construction for few-body quantum mechanical calculations

Vladimir Roudnev·Michael Cavagnero

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Abstract

An algorithm for generating optimal nonuniform grids for solving the two-body Schrödinger equation is developed and implemented. The shape of the grid is optimized to accurately reproduce the low-energy part of the spectrum of the Schrödinger operator. Grids constructed this way are applicable to more complex few-body systems where the number of grid points is a critical limitation to numerical accuracy. The utility of the grid generation for improving few-body calculations is illustrated through an application to bound states of He trimers.

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BibTeX RIS

Vladimir Roudnev, Michael Cavagnero. 2011-04-06. Automatic grid construction for few-body quantum mechanical calculations. https://doi.org/10.1016/j.cpc.2011.05.003

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