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Symbolic-numerical algorithms to solve the quantum tunneling problem for a coupled pair of ions. (English) Zbl 1308.81007
Gerdt, Vladimir P. (ed.) et al., Computer algebra in scientific computing. 13th international workshop, CASC 2011, Kassel, Germany, September 5–9, 2011. Proceedings. Berlin: Springer (ISBN 978-3-642-23567-2/pbk). Lecture Notes in Computer Science 6885, 175-191 (2011).
Summary: Symbolic-numerical algorithms for solving a boundary value problem (BVP) for the 2D Schrödinger equation with homogeneous third type boundary conditions to study the quantum tunneling model of a coupled pair of nonidentical ions are described. The Kantorovich reduction of the above problem with non-symmetric long-range potentials to the BVPs for sets of the second order ordinary differential equations (ODEs) is given by expanding solution over the one-parametric set of basis functions. Symbolic algorithms for evaluation of asymptotics of the basis functions, effective potentials, and linear independent solutions of the ODEs in the form of inverse power series of independent variable at large values are given by using appropriate etalon equations. Benchmark calculation of quantum tunneling problem of coupled pair of identical ions through Coulomb-like barrier is presented.
For the entire collection see [Zbl 1221.68017].

MSC:
81-08 Computational methods for problems pertaining to quantum theory
68W30 Symbolic computation and algebraic computation
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