Automatic grid construction for few-body quantum-mechanical calculations

作者：Roudnev V^*; Cavagnero Michael

来源：Computer Physics Communications, 2011, 182(10): 2099-2106.

DOI：10.1016/j.cpc.2011.05.003

• Quantum few-body calculations
• Nonuniform grids
• Optimization
• Grading function
• Faddeev equations

An algorithm for generating optimal nonuniform grids for solving the two-body Schrodinger equation is developed and implemented. The shape of the grid is optimized to accurately reproduce the low-energy part of the spectrum of the Schrodinger 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.

• 出版日期2011-10