A numerical basis for the accurate representation of the continuum spectrum of atomic Hamiltonians

DOI10.1007/S10910-004-1462-8zbMATH Open1073.65072OpenAlexW1993872894MaRDI QIDQ2485879FDOQ2485879

Authors: L. A. A. Nikolopoulos 

Publication date: 5 August 2005

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-004-1462-8

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zbMATH Keywords

spectrum\(B\)-splinesWKB methodphotoionizationcomplex atomic systemshydrogenic HamiltonianSchrödinger equation

Mathematics Subject Classification ID

Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.) (34L40) Numerical approximation of eigenvalues and of other parts of the spectrum of ordinary differential operators (34L16) Numerical solution of eigenvalue problems involving ordinary differential equations (65L15) Singular perturbation problems for ordinary differential equations in the complex domain (complex WKB, turning points, steepest descent) (34M60)

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• Quantitative calculation of the absorption spectrum of the hydrogen atom
• Title not available (Why is that?)
• An accurate Fortran code for computing hydrogenic continuum wave functions at a wide range of parameters
• Highly accurate numerical solution of Hartree-Fock equation with pseudospectral method for closed-shell atoms
• A finite element approach for the continuum spectrum of the Dirac radial equation
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