Lagrange-mesh calculations and Fourier transform

G Lacroix, C Semay - Physical Review E—Statistical, Nonlinear, and Soft …, 2011 - APS
G Lacroix, C Semay
Physical Review E—Statistical, Nonlinear, and Soft Matter Physics, 2011APS
The Lagrange-mesh method is a very accurate procedure for computing eigenvalues and
eigenfunctions of a two-body quantum equation written in the configuration space. Using a
Gauss quadrature rule, the method only requires 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. Using the peculiarities of the method, it is shown
that the Fourier transform of the eigenfunctions, computed in the configuration space, can …
The Lagrange-mesh method is a very accurate procedure for computing eigenvalues and eigenfunctions of a two-body quantum equation written in the configuration space. Using a Gauss quadrature rule, the method only requires 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. Using the peculiarities of the method, it is shown that the Fourier transform of the eigenfunctions, computed in the configuration space, can easily be obtained with good accuracy in the physical domain of the momentum space. Also, observables in this space can easily be computed with good accuracy only using matrix elements and eigenfunctions computed in the configuration space.
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