KANTBP 3.1: A program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel and adiabatic approaches

A FORTRAN program for calculating energy values, reflection and transmission matrices, and corresponding wave functions in a coupled-channel approximation of the adiabatic approach is presented. In this approach, a multidimensional Schrödinger equation is reduced to a system of the coupled second-or...

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Veröffentlicht in:Computer physics communications 2022-09, Vol.278, p.108397, Article 108397
Hauptverfasser: Chuluunbaatar, O., Gusev, A.A., Vinitsky, S.I., Abrashkevich, A.G., Wen, P.W., Lin, C.J.
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Sprache:eng
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Zusammenfassung:A FORTRAN program for calculating energy values, reflection and transmission matrices, and corresponding wave functions in a coupled-channel approximation of the adiabatic approach is presented. In this approach, a multidimensional Schrödinger equation is reduced to a system of the coupled second-order ordinary differential equations on a finite interval with the homogeneous boundary conditions of the third type at left- and right-boundary points for the discrete spectrum and scattering problems. The resulting system of such equations, containing potential matrix elements and first-derivative coupling terms is solved using high-order accuracy approximations of the finite element method. The scattering problem is solved with non-diagonal potential matrix elements in the left and/or right asymptotic regions and different left and right threshold values. Benchmark calculations for the fusion cross sections of 36S+48Ca, 64Ni+100Mo reactions are presented. As a test desk, the program is applied to the calculation of the reflection and transmission matrices and corresponding wave functions of the exact solvable wave-guide model, and also the fusion cross sections and mean angular momenta of the 16O+144Sm reaction. Program Title: KANTBP CPC Library link to program files:https://doi.org/10.17632/4vm9fhyvh3.1 Licensing provisions: CC BY NC 3.0 Programming language: FORTRAN Nature of problem: In the adiabatic approach [1], a multidimensional Schrödinger equation for quantum reflection [2], the photoionization and recombination of a hydrogen atom in a homogeneous magnetic field [3–6], the three-dimensional tunneling of a diatomic molecule incident upon a potential barrier [7], wave-guide models [8], the fusion model of the collision of heavy ions [9–11], and low-energy fusion reactions of light- and medium mass nuclei [12] is reduced by separating the longitudinal coordinate, labeled as z, from transversal variables to a system of second-order ordinary differential equations containing the potential matrix elements and first-derivative coupling terms. The purpose of this paper is to present a program based on the use of high-order accuracy approximations of the finite element method (FEM) for calculating energy levels, reflection and transmission matrices and wave functions for such systems of coupled-channel second order differential equations (CCSODEs) on finite intervals of the variable z∈[zmin,zmax] with homogeneous boundary conditions of the third-type at the le
ISSN:0010-4655
1879-2944
DOI:10.1016/j.cpc.2022.108397