Embedded eighth order methods for the numerical solution of the Schrödinger equation

DOI10.1023/A:1019162701521MaRDI QIDQ1569733zbMATH OpenOpenAlexFDO

Authors G. Avdelas, T. E. Simos

Publication date 6 July 2000

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

Full work available at URL https://doi.org/10.1023/a:1019162701521

zbMATH Keywords

embedded methodserror boundserror controlnumerical resultsphase-lagphase-shift problemradial Schrödinger equationstability

Mathematics Subject Classification ID

Special ordinary differential equations (Mathieu, Hill, Bessel, etc.) (34B30) Particular ordinary differential operators (Dirac, one-dimensional Schrödinger, etc.) (34L40) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Numerical solution of boundary value problems involving ordinary differential equations (65L10) Error bounds for numerical methods for ordinary differential equations (65L70)

Review text

A new method for the approximate numerical integration of the radial Schrödinger equation is developed. The authors propose a family of eight-algebraic order explicit methods. Their complete phase-lag and stability analysis is developed. A simple error control mechanism, based on the phase-lag error, is described. Numerical results obtained for the phase-shift problems of the radial Schrödinger equation show the validity of the developed theory.

Recommendations

• Embedded methods for the numerical solution of the Schrödinger equation
• Symmetric eighth algebraic order methods with minimal phase-lag for the numerical solution of the Schrödinger equation
• Eighth order methods for accurate computations for the Schrödinger equation
• 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
• An eighth-order formula for the numerical integration of the one- dimensional Schrödinger equation

Cited in

(43)

• High order closed Newton-Cotes trigonometrically-fitted formulae for the numerical solution of the Schrödinger equation
• On the efficiency of Newton and Broyden numerical methods in the investigation of the regular polygon problem of (N + 1) bodies
• 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
• An eighth-order formula for the numerical integration of the one- dimensional Schrödinger equation
• On an eighth order formula for solving a Schrödinger equation
• Eighth order methods for accurate computations for the Schrödinger equation
• A generator of hybrid symmetric four-step methods for the numerical solution of the Schrödinger equation
• Symplectic methods of fifth order for the numerical solution of the radial Schrödinger equation
• A higher accuracy finite difference method for an elliptic equation of order four.
• New 8-step symmetric embedded predictor-corrector (EPCM) method with vanished phase-lag and its first derivative for the numerical integration of the Schrödinger equation
• Multiderivative methods of eighth algebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equation
• A new hybrid imbedded variable-step procedure for the numerical integration of the Schrödinger equation
• Embedded methods for the numerical solution of the Schrödinger equation
• A generator of high-order embedded P-stable methods for the numerical solution of the Schrödinger equation
• New optimized explicit modified RKN methods for the numerical solution of the Schrödinger equation
• Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation
• New second-order exponentially and trigonometrically fitted symplectic integrators for the numerical solution of the time-independent Schrödinger equation
• A family of multiderivative methods for the numerical solution of the Schrödinger equation
• 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
• A P-stable exponentially-fitted method for the numerical integration of the Schrödinger equation
• A new explicit Bessel and Neumann fitted eighth algebraic order method for the numerical solution 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 generator of dissipative methods for the numerical solution of the Schrödinger equation
• A dissipative exponentially-fitted method for the numerical solution of the Schrödinger equation and related problems
• 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
• 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

This page was built for publication: Embedded eighth order methods for the numerical solution of the Schrödinger equation

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1569733)