A new optimized symmetric 8-step semi-embedded predictor-corrector method for the numerical solution of the radial Schrödinger equation and related orbital problems

DOI10.1007/s10910-013-0184-1zbMath1312.65117MaRDI QIDQ364643

G. A. Panopoulos, Theodore E. Simos

Publication date: 9 September 2013

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

Full work available at URL: https://doi.org/10.1007/s10910-013-0184-1

zbMATH Keywords

initial value problems; Schrödinger equation; phase-lag; oscillatory solution; symmetric; multistep; predictor-corrector; orbital problems; eight-step; second-order IVPs; SEPCM

Mathematics Subject Classification ID

81Q05: Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics

65L06: Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations

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Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• A parametric symmetric linear four-step method for the efficient integration of the Schrödinger equation and related oscillatory problems
• New stable closed Newton-Cotes trigonometrically fitted formulae for long-time integration
• Optimizing a hybrid two-step method for the numerical solution of the Schrödinger equation and related problems with respect to phase-lag
• Symplectic partitioned Runge-Kutta methods with minimal phase-lag
• A nonlinear explicit two-step fourth algebraic order method of order infinity for linear periodic initial value problems
• A family of four-step trigonometrically-fitted methods and its application to the Schrödinger equation
• Closed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equation
• Computation of the eigenvalues of the Schrödinger equation by symplectic and trigonometrically fitted symplectic partitioned Runge-Kutta methods
• New modified Runge-Kutta-Nyström methods for the numerical integration of the Schrödinger equation
• A two-step method with vanished phase-lag and its first two derivatives for the numerical solution of the Schrödinger equation
• P-stable linear symmetric multistep methods for periodic initial-value problems
• High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation
• Closed Newton-Cotes trigonometrically-fitted formulae of high order for long-time integration of orbital problems
• High-order P-stable multistep methods
• A family of two-stage two-step methods for the numerical integration of the Schrödinger equation and related IVPs with oscillating solution
• Two optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutions
• An optimized explicit Runge-Kutta method with increased phase-lag order for the numerical solution of the Schrödinger equation and related problems
• A new two-step hybrid method for the numerical solution of the Schrödinger equation
• Trigonometrically fitted and exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation
• The numerical solution of the radial Schrödinger equation via a trigonometrically fitted family of seventh algebraic order predictor-corrector methods
• A four-step exponentially fitted method for the numerical solution of the Schrödinger equation
• A family of exponentially-fitted Runge-Kutta methods with exponential order up to three for the numerical solution of the Schrödinger equation
• Exponentially and trigonometrically fitted methods for the solution of the Schrödinger equation
• A new Numerov-type method for the numerical solution of the Schrödinger equation
• A Noumerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems. II: Explicit method
• A finite-difference method for the numerical solution of the Schrödinger equation
• Newton--Cotes formulae for long-time integration.
• Symplectic integrators for the numerical solution of the Schrödinger equation
• A generator of hybrid symmetric four-step methods for the numerical solution of the Schrödinger equation
• Trigonometrically fitted predictor--corrector methods for IVPs with oscillating solutions
• A family of trigonometrically-fitted symmetric methods for the efficient solution of the Schrödinger equation and related problems
• Symplectic methods for the numerical solution of the radial Schrödinger equation
• Zero dissipative, explicit Numerov-type methods for second order IVPs with oscillating solutions
• Symplectic methods of fifth order for the numerical solution of the radial Schrödinger equation
• Exponentially-fitted Runge-Kutta-Nyström method for the numerical solution of initial-value problems with oscillating solutions
• Symmetric eighth algebraic order methods with minimal phase-lag for the numerical solution of the Schrödinger equation
• Construction of trigonometrically and exponentially fitted Runge--Kutta--Nyström methods for the numerical solution of the Schrödinger equation and related problems -- a method of 8th algebraic order
• Dissipative trigonometrically-fitted methods for linear second-order IVPs with oscillating solution.
• An optimized Runge-Kutta method for the solution of orbital problems
• A fourth algebraic order trigonometrically fitted predictor-corrector scheme for IVPs with oscillating solutions
• Multiderivative methods of eighth algebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equation
• Runge-Kutta methods with minimal dispersion and dissipation for problems arising from computational acoustics
• An explicit sixth-order method with phase-lag of order eight for \(y=f(t,y)\)
• Comparison of some four-step methods for the numerical solution of the Schrödinger equation
• Optimized Runge-Kutta pairs for problems with oscillating solutions
• New P-stable eighth algebraic order exponentially-fitted methods for the numerical integration of the Schrödinger equation
• Family of twelve steps exponential fitting symmetric multistep methods for the numerical solution of the Schrödinger equation
• Exponentially-fitted multiderivative methods for the numerical solution of the Schrödinger equation
• High order four-step hybrid method with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation
• Optimization as a function of the phase-lag order of nonlinear explicit two-step \(P\)-stable method for linear periodic IVPs
• An explicit Numerov-type method for second-order differential equations with oscillating solutions
• A trigonometrically fitted explicit hybrid method for the numerical integration of orbital problems
• Symmetric linear multistep
• New second-order exponentially and trigonometrically fitted symplectic integrators for the numerical solution of the time-independent Schrödinger equation
• Phase-fitted and amplification-fitted two-step hybrid methods for \(y^{\prime\prime }=f(x,y)\)
• Exponentially fitted symplectic methods for the numerical integration of the Schrödinger equation
• Trigonometrically fitted Runge-Kutta methods for the numerical solution of the Schrödinger equation
• Sixth algebraic order trigonometrically fitted predictor-corrector methods for the numerical solution of the radial Schrödinger equation
• A family of multiderivative methods for the numerical solution of the Schrödinger equation
• High-order predictor--corrector of exponential fitting for the \(N\)-body problems
• Stabilization of Cowell's method
• Chebyshevian multistep methods for ordinary differential equations
• A one-step method for direct integration of structural dynamic equations
• Symmetric Multistip Methods for Periodic Initial Value Problems
• TWO NEW PHASE-FITTED SYMPLECTIC PARTITIONED RUNGE–KUTTA METHODS
• On finite difference methods for the solution of the Schrödinger equation
• A new explicit Bessel and Neumann fitted eighth algebraic order method for the numerical solution of the Schrödinger equation
• A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. I: Development of the basic method
• A generator and an optimized generator of high-order hybrid explicit methods for the numerical solution of the Schrödinger equation. II: Development of the generator, optimization of the generator and numerical results
• A modified phase-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation