Physics – Computational Physics
Scientific paper
2007-11-29
Physics
Computational Physics
22 pages, 1 table 8 figures
Scientific paper
10.1103/PhysRevA.77.012707
A spectral integral method (IEM) for solving the two-body Schroedinger equation in configuration space is generalized to the calculation of the corresponding T-matrix. It is found that the desirable features of the IEM, such as the economy of mesh-points for a given required accuracy, are carried over also to the solution of the T-matrix. However the algorithm is considerably more complex, because the T-matrix is a function of two variables r and r', rather than only one variable r, and has a slope discontinuity at r=r'. For a simple exponential potential an accuracy of 7 significant figures is achieved, with the number N of Chebyshev support points in each partition equal to 17. For a potential with a large repulsive core, such as the potential between two He atoms, the accuracy decreases to 4 significant figures, but is restored to 7 if N is increased to 65.
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