Semi-spectral Chebyshev method in quantum mechanics

DOI10.1016/J.AOP.2006.07.004MaRDI QIDQ885240zbMATH OpenOpenAlexFDO

Publication date 8 June 2007

Published in Annals of Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/quant-ph/0606100

Lippmann-Schwinger equation Schrödinger equation semi-spectral method

Fourier series in special orthogonal functions (Legendre polynomials, Walsh functions, etc.) (42C10) Newton-type methods (49M15) Numerical interpolation (65D05) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) (2)-body potential quantum scattering theory (81U05)

Abstract: Traditionally, finite differences and finite element methods have been by many regarded as the basic tools for obtaining numerical solutions in a variety of quantum mechanical problems emerging in atomic, nuclear and particle physics, astrophysics, quantum chemistry, etc. In recent years, however, an alternative technique based on the semi-spectral methods has focused considerable attention. The purpose of this work is first to provide the necessary tools and subsequently examine the efficiency of this method in quantum mechanical applications. Restricting our interest to time independent two-body problems, we obtained the continuous and discrete spectrum solutions of the underlying Schroedinger or Lippmann-Schwinger equations in both, the coordinate and momentum space. In all of the numerically studied examples we had no difficulty in achieving the machine accuracy and the semi-spectral method showed exponential convergence combined with excellent numerical stability.

Review text

The implementation of the semi-spectral Chebyshev method is a standard linear system solver plus a set of procedures calculating the cardinal functions \(G_j(t)= (2/N)\sum_{i= 1\sim N} T_{i-1}(t_j)T_{i-1}(t)\) (\(T_{i-1}(t)\): Chebyshev polynomial), the anti-derivative matrix \(W^{\pm}\), the differentiation matrix \(D\), and the dedicated weights \(w_j\), \(\omega_j(z)\), \(\Omega_j(z)\). The author tries to apply the method to the radial part of the appropriate Schrödinger equation (SEq.) \[ d^2\psi(p, r)/dr^2+ [p^2-\ell(\ell+ 1)/r^2- 2\mu V_c(r)]\psi(p, r)= 2\mu V(r)\psi(p, r),\;V_c(r)= \alpha Z/r, \] and the Lippmann-Schwinger equation (L-S Eq.) \[ \psi(p,r)= f(pr)+ 2\mu\int_{[0,\infty)} G_p(r, r')V(r')\psi(p, r')\,dr' \] derived from the SEq., where \(G_p\): Green function. The L-S Eq. is transformed into a Volterra equation. He obtains the continuous and discrete spectrum solutions of them in both, the coordinate and momentum space. He also shows the numerical results and the relative errors of them for the phase shift and the scattering length by the exponential potential, Hulthén potential etc..

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