Comparison of some special optimized fourth-order Runge-Kutta methods for the numerical solution of the Schrödinger equation
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Publication:709691
DOI10.1016/j.cpc.2004.11.002zbMath1196.81081MaRDI QIDQ709691
Publication date: 18 October 2010
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2004.11.002
explicit Runge-Kutta methods; exponential fitting; radial Schrödinger equation; resonance problem; phase fitting; bound-states problem
81Q05: Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics
81-08: Computational methods for problems pertaining to quantum theory
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Cites Work
- Unnamed Item
- Unnamed Item
- A Mathematica program for the two-step twelfth-order method with multi-derivative for the numerical solution of a one-dimensional Schrödinger equation
- A four-step phase-fitted method for the numerical integration of second order initial-value problems
- A Noumerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems
- Exponential and Bessel fitting methods for the numerical solution of the Schrödinger equation
- An exponentially-fitted Runge-Kutta method for the numerical integration of initial-value problems with periodic or oscillating solutions
- Runge-Kutta algorithms for oscillatory problems
- Runge-Kutta(-Nyström) methods for ODEs with periodic solutions based on trigonometric polynomials
- A modified Runge-Kutta method for the numerical solution of ODE's with oscillation solutions
- An embedded exponentially-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation and related periodic initial-value problems
- A phase-fitted collocation-based Runge-Kutta-Nyström method
- New methods for oscillatory problems based on classical codes
- A new family of Runge-Kutta type methods for the numerical integration of perturbed oscillators
- Runge-Kutta-Nyström methods adapted to the numerical integration of perturbed oscillators
- Exponentially-fitted explicit Runge-Kutta methods
- Numerical integration of ordinary differential equations based on trigonometric polynomials
- Practical points concerning the solution of the Schrödinger equation
- Chebyshevian multistep methods for ordinary differential equations
- AN EMBEDDED RUNGE–KUTTA METHOD WITH PHASE-LAG OF ORDER INFINITY FOR THE NUMERICAL SOLUTION OF THE SCHRÖDINGER EQUATION
- A fourth algebraic order exponentially-fitted Runge-Kutta method for the numerical solution of the Schrodinger equation
- Explicit Runge–Kutta (–Nyström) Methods with Reduced Phase Errors for Computing Oscillating Solutions
- Solving Ordinary Differential Equations I
- Phase-Lag Analysis of Implicit Runge–Kutta Methods
- Diagonally Implicit Runge–Kutta–Nyström Methods for Oscillatory Problems
- Symmetric Multistip Methods for Periodic Initial Value Problems
- A modified Runge–Kutta method with phase-lag of order infinity for the numerical solution of the Schrödinger equation and related problems
- Two-step fourth order P-stable methods for second order differential equations
- Mixed collocation methods for \(y=f(x,y)\)