Numerical solution of singular ODE eigenvalue problems in electronic structure computations
DOI10.1016/j.cpc.2010.05.006zbMath1216.65096OpenAlexW2107287548MaRDI QIDQ536962
Robert Hammerling, Ewa B. Weinmüller, Christa Simon, Othmar Koch
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
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)
Related Items (12)
Uses Software
Cites Work
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- A numerical procedure to solve the multichannel Schrödinger eigenvalue problem
- Explicit exponentially fitted methods for the numerical solution of the Schrödinger equation
- A new multi-purpose software package for Schrödinger and Sturm-Liouville computations
- Efficient mesh selection for collocation methods applied to singular BVPs
- Efficient numerical solution of the density profile equation in hydrodynamics
- From nonlinear PDEs to singular ODEs
- On the accuracy of finite difference approximations to the eigenvalues of differential and integral operators
- Computation of self-similar solution profiles for the nonlinear Schrödinger equation
- The Numerical Solution of Boundary Value Problems with an Essential Singularity
- Difference Methods for Boundary Value Problems with a Singularity of the First Kind
- Collocation Methods for Singular Boundary Value Problems
- Mathematical software for Sturm-Liouville problems
- Bound state solutions of the Hulthén potential by using the asymptotic iteration method
- Algorithm 810: The SLEIGN2 Sturm-Liouville Code
- Electronic Structure
- Difference Approximations for Boundary and Eigenvalue Problems for Ordinary Differential Equations
- An Improved Eigenvalue Corrector Formula for Solving the Schrodinger Equation for Central Fields
This page was built for publication: Numerical solution of singular ODE eigenvalue problems in electronic structure computations