Algorithms for solving two-center Coulomb problem

DOI10.1134/S0965542525701453MaRDI QIDQ6878933zbMATH OpenFDO

Authors Hai Long Luong, A. I. Muratova, Oleg O. Kovalev, A. A. Gusev, V. L. Derbov, S. I. Vinitsky

Publication date 5 January 2026

Published in Computational Mathematics and Mathematical Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1134/S0965542525701453

zbMATH Keywords

finite element methodCoulomb two-center problemalgorithm of secant methoddiscrete and continuos spectraKANTBP 5M program

Mathematics Subject Classification ID

Other elementary particle theory in quantum theory (81V25) Interacting particle systems in time-dependent statistical mechanics (82C22) Numerical methods for initial value problems involving ordinary differential equations (65L05)

Cites work

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• A finite-difference Newton-Raphson solution of the two-center electronic Schrödinger equation
• ARSENY: a program for computing inelastic transitions via hidden crossings in one-electron atomic ion-ion collisions with classical description of nuclear motion
• Calculating the branch points of the eigenvalues of the Coulomb spheroidal wave equation
• Continuum solutions to the two-center Coulomb problem in prolate spheroidal coordinates
• Continuum wave functions for the two-center, one-electron system
• KANTBP 3.1: a program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel and adiabatic approaches
• ODPEVP: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined Sturm-Liouville problem
• POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field
• The two centre problem in wave mechanics.

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