Solution of time-independent Schrödinger equation by the imaginary time propagation method

DOI10.1016/j.jcp.2006.06.006zbMath1110.65096OpenAlexW2045905391MaRDI QIDQ870532

N. E. Zubov

Publication date: 13 March 2007

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2006.06.006

zbMATH Keywords

convergencenumerical exampleseigenvaluesLanczos methodparallel computationeigenvectorsSchrödinger equationoperator-splittingimaginary time propagation

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) NLS equations (nonlinear Schrödinger equations) (35Q55) Parallel numerical computation (65Y05) Spectral, collocation and related methods for initial value and initial-boundary value problems involving PDEs (65M70)

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Uses Software

• FFTW
• ARPACK

Cites Work

• Efficient numerical method for simulating static and dynamic properties of superfluid helium.
• Symplectic integrators from composite operator factorizations
• Computation of a few smallest eigenvalues of elliptic operators using fast elliptic solvers
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