Numerical solution of singular ODE eigenvalue problems in electronic structure computations
DOI10.1016/J.CPC.2010.05.006zbMATH Open1216.65096OpenAlexW2107287548MaRDI QIDQ536962FDOQ536962
Authors: Robert Hammerling, Othmar Koch, Christa Simon, E. B. Weinmüller 
Publication date: 31 May 2011
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2010.05.006
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eigenfunctionsmatrix methodpolynomial collocationelectronic structure computationfullpotential core solversingular eigenvalue problemssingular Schrödinger equations
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)
Cites Work
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- Explicit exponentially fitted methods for the numerical solution of the Schrödinger equation
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Cited In (14)
- Fractional BVPs with strong time singularities and the limit properties of their solutions
- The spectral Ewald method for singly periodic domains
- Numerical simulation of flow in smectic liquid crystals
- Collocation methods for the solution of eigenvalue problems for singular ordinary differential equations
- Properties of the set of positive solutions to Dirichlet boundary value problems with time singularities
- Near critical, self-similar, blow-up solutions of the generalised Korteweg-de Vries equation: asymptotics and computations
- Periodic BVPs in ODEs with time singularities
- Positive blow-up solutions of nonlinear models from real world dynamics
- Approximation of eigenvalues of Sturm-Liouville problems defined on a semi-infinite domain
- A Spectral Transform Method for Singular Sturm--Liouville Problems with Applications to Energy Diffusion in Plasma Physics
- Asymptotic properties of Kneser solutions to nonlinear second order ODEs with regularly varying coefficients
- Convergence of collocation schemes for boundary value problems in nonlinear index 1 DAEs with a singular point
- Neumann problems with time singularities
- On the calculation of the finite Hankel transform eigenfunctions
Uses Software
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