A modified phase-fitted Runge-Kutta method for the numerical solution of the Schrödinger equation

DOI10.1023/A:1013185619370zbMath1003.65082MaRDI QIDQ5950909

Jesus Vigo Aguiar, Theodore E. Simos

Publication date: 18 December 2001

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

zbMATH Keywords

Schrödinger equation; periodic initial-value problems; algebraic order five; modified phase-fitted Runge-Kutta method

Mathematics Subject Classification ID

34C25: Periodic solutions to ordinary differential equations

34L40: Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.)

34A34: Nonlinear ordinary differential equations and systems

65L05: Numerical methods for initial value problems involving ordinary differential equations

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

Related Items

Double exponential sinc-collocation method for solving the energy eigenvalues of harmonic oscillators perturbed by a rational function, A P-stable exponentially-fitted method for the numerical integration of the Schrödinger equation, An implicit symmetric linear six-step methods with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the radial Schrödinger equation and related problems, Family of symmetric linear six-step methods with vanished phase-lag and its derivatives and their application to the radial Schrödinger equation and related problems, A family of embedded explicit six-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation: development and theoretical analysis, Two new embedded pairs of explicit Runge-Kutta methods adapted to the numerical solution of oscillatory problems, A family of two stages tenth algebraic order symmetric six-step methods with vanished phase-lag and its first derivatives for the numerical solution of the radial Schrödinger equation and related problems, A new eight algebraic order embedded explicit six-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the Schrödinger equation, A new optimized symmetric 8-step semi-embedded predictor-corrector method for the numerical solution of the radial Schrödinger equation and related orbital problems, New explicit adapted Numerov methods for second-order oscillatory differential equations, New open modified trigonometrically-fitted Newton-Cotes type multilayer symplectic integrators for the numerical solution of the Schrödinger equation, A new hybrid two-step method with vanished phase-lag and its first and second derivatives for the numerical solution of the Schrödinger equation and related problems, An explicit four-step method with vanished phase-lag and its first and second derivatives, A Runge-Kutta type four-step method with vanished phase-lag and its first and second derivatives for each level for the numerical integration of the Schrödinger equation, A new explicit hybrid four-step method with vanished phase-lag and its derivatives, An explicit linear six-step method with vanished phase-lag and its first derivative, A family of explicit linear six-step methods with vanished phase-lag and its first derivative, A hybrid type four-step method with vanished phase-lag and its first, second and third derivatives for each level for the numerical integration of the Schrödinger equation, A high algebraic order predictor-corrector explicit method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the Schrödinger equation and related problems, Efficient low computational cost hybrid explicit four-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical integration of the Schrödinger equation, A high algebraic order multistage explicit four-step method with vanished phase-lag and its first, second, third, fourth and fifth derivatives for the numerical solution of the Schrödinger equation, A new two stages tenth algebraic order symmetric six-step method with vanished phase-lag and its first and second derivatives for the solution of the radial Schrödinger equation and related problems, Runge-Kutta type methods with special properties for the numerical integration of ordinary differential equations, A family of eight-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation, 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, P-stability, trigonometric-fitting and the numerical solution of the radial Schrödinger equation, High algebraic order methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equation, Mulitstep methods with vanished phase-lag and its first and second derivatives for the numerical integration of the Schrödinger equation, A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equation, A family of ten-step methods with vanished phase-lag and its first derivative for the numerical solution 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, Two stages six-step method with eliminated phase-lag and its first, second, third and fourth derivatives for the approximation of the Schrödinger equation, High order computationally economical six-step method with vanished phase-lag and its derivatives for the numerical solution of the Schrödinger equation, Stability and phase-lag analysis of explicit Runge-Kutta methods with variable coefficients for oscillatory problems, High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation, 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, A new methodology for the development of numerical methods for the numerical solution of the Schrödinger equation, A new methodology for the construction of numerical methods for the approximate solution of the Schrödinger equation, High order multistep methods with improved phase-lag characteristics for the integration of the Schrödinger equation, 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, 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, An embedded phase-fitted modified Runge-Kutta method for the numerical integration of the radial Schrödinger equation, High order closed Newton-Cotes trigonometrically-fitted formulae for the numerical solution of the Schrödinger equation, A new Numerov-type method for the numerical solution of the Schrödinger equation, A family of Runge-Kutta methods with zero phase-lag and derivatives for the numerical solution of the Schrödinger equation and related problems, High order phase fitted multistep integrators for the Schrödinger equation with improved frequency tolerance, New three-stages symmetric six-step finite difference method with vanished phase-lag and its derivatives up to sixth derivative for second order initial and/or boundary value problems with periodical and/or oscillating solutions, A generator of families of two-step numerical methods with free parameters and minimal phase-lag, A multistep method with optimal properties for second order differential equations, New two stages high order symmetric six-step method with vanished phase-lag and its first, second and third derivatives for the numerical solution of the Schrödinger equation, New four-stages symmetric six-step method with improved phase properties for second order problems with periodical and/or oscillating solutions, Exponentially fitted and trigonometrically fitted two-derivative Runge-Kutta-Nyström methods for solving \(y^{\prime \prime}(x) = f \left(x, y, y^\prime\right)\), A new multistep finite difference pair for the Schrödinger equation and related problems, Modified two-derivative Runge-Kutta methods for the Schrödinger equation, Multiderivative methods of eighth algebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equation, A new high order two-step method with vanished phase-lag and its derivatives for the numerical integration 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, New high order multiderivative explicit four-step methods with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equation. I: construction and theoretical analysis, New optimized explicit modified RKN methods for the numerical solution of the Schrödinger equation, A new optimized Runge-Kutta pair for the numerical solution of the radial Schrödinger equation, A new modified embedded 5(4) pair of explicit Runge-Kutta methods for the numerical solution of the Schrödinger equation, An optimized Runge-Kutta method for the numerical solution of the radial Schrödinger equation, Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation, Phase-fitted and amplification-fitted higher order two-derivative Runge-Kutta method for the numerical solution of orbital and related periodical ivps, A new embedded 4(3) pair of modified two-derivative Runge-Kutta methods with FSAL property for the numerical solution of the Schrödinger equation, THDRK methods with vanished phase-lag and its first derivative for the Schrödinger equation, A new explicit four-step method with vanished phase-lag and its first and second derivatives, Energy-preserving trigonometrically fitted continuous stage Runge-Kutta-Nyström methods for oscillatory Hamiltonian systems, Trigonometrically fitted three-derivative Runge-Kutta methods for solving oscillatory initial value problems, A predictor-corrector explicit four-step method with vanished phase-lag and its first, second and third derivatives for the numerical integration of the Schrödinger equation, Three stages symmetric six-step method with eliminated phase-lag and its derivatives for the solution of the Schrödinger equation, An efficient six-step method for the solution of the Schrödinger equation, Trigonometrically fitted multi-step Runge-Kutta methods for solving oscillatory initial value problems, New multiple stages multistep method with best possible phase properties for second order initial/boundary value problems, New optimized two-derivative Runge-Kutta type methods for solving the radial Schrödinger equation, A new four-step hybrid type method with vanished phase-lag and its first derivatives for each level for the approximate integration of the Schrödinger equation, Trigonometrically fitted two-derivative Runge-Kutta methods for solving oscillatory differential equations, A family of multiderivative methods for the numerical solution of the Schrödinger equation, A new four-step Runge-Kutta type method with vanished phase-lag and its first, second and third derivatives for the numerical solution of the Schrödinger equation, An adapted explicit hybrid four-step method for the numerical solution of perturbed oscillators, A new six-step algorithm with improved properties for the numerical solution of second order initial and/or boundary value problems, A new three-stages six-step finite difference pair with optimal phase properties for second order initial and/or boundary value problems with periodical and/or oscillating solutions