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Lagrange-mesh calculations in momentum space
Phys. Rev. E 86, 026705 – Published 8 August, 2012
DOI: https://doi.org/10.1103/PhysRevE.86.026705
Abstract
The Lagrange-mesh method is a powerful method to solve eigenequations written in configuration space. It is very easy to implement and very accurate. Using a Gauss quadrature rule, the method requires only the evaluation of the potential at some mesh points. The eigenfunctions are expanded in terms of regularized Lagrange functions which vanish at all mesh points except one. It is shown that this method can be adapted to solve eigenequations written in momentum space, keeping the convenience and the accuracy of the original technique. In particular, the kinetic operator is a diagonal matrix. Observables and wave functions in both configuration space and momentum space can also be easily computed with good accuracy using only eigenfunctions computed in the momentum space. The method is tested with Gaussian and Yukawa potentials, requiring, respectively, a small and a large mesh to reach convergence. Corresponding wave functions in both spaces are compared with each other using the Fourier transform.
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