Algorithm for the development of families of numerical methods based on phase-lag Taylor series

DOI10.1007/s10910-019-01078-1zbMath1433.81080OpenAlexW2991042563MaRDI QIDQ2299055

A. Konguetsof

Publication date: 20 February 2020

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

Full work available at URL: https://doi.org/10.1007/s10910-019-01078-1

zbMATH Keywords

Schrödinger equationphase-laghybrid methodsexplicit methodsphase-fittedtwo-step methods

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Numerical nonlinear stabilities in dynamical systems (65P40)

Uses Software

• numerov
• NEW9p

Cites Work

• A new approach on the construction of trigonometrically fitted two step hybrid methods
• 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
• A new two stage symmetric two-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the radial Schrödinger equation
• 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
• A new four stages symmetric two-step method with vanished phase-lag and its first derivative for the numerical integration of the Schrödinger equation
• Construction of exponentially fitted symplectic Runge-Kutta-Nyström methods from partitioned Runge-Kutta methods
• An optimized two-step hybrid block method for solving general second order initial-value problems
• A new high algebraic order four stages symmetric two-step method with vanished phase-lag and its first and second derivatives for the numerical solution of the Schrödinger equation and related 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 phase-fitted eight-step symmetric embedded predictor-corrector method (EPCM) for orbital problems and related IVPs with oscillating solutions
• New open modified Newton Cotes type formulae as multilayer symplectic integrators
• A high-order two-step phase-fitted method 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
• The use of phase lag and amplification error derivatives for the construction of a modified Runge-Kutta-Nyström method
• A new family of symmetric linear four-step methods for the efficient integration of the Schrödinger equation and related oscillatory problems
• New open modified trigonometrically-fitted Newton-Cotes type multilayer symplectic integrators for the numerical solution of the Schrödinger equation
• 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
• 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
• An eight-step semi-embedded predictor-corrector method for orbital problems and related IVPs with oscillatory solutions for which the frequency is unknown
• 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 low computational cost eight algebraic order hybrid method with vanished phase-lag and its first, second, third and fourth derivatives for the approximate solution of the Schrödinger equation
• An efficient numerical method for the 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
• High algebraic order Runge-Kutta type two-step method with vanished phase-lag and its first, second, third, fourth, fifth and sixth derivatives
• A fourth order modified trigonometrically fitted symplectic Runge-Kutta-Nyström method
• 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 eight-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation
• P-stability, trigonometric-fitting and the numerical solution of the radial Schrödinger equation
• Computation of the eigenvalues of the Schrödinger equation by exponentially-fitted Runge-Kutta-Nyström methods
• 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
• New modified Runge-Kutta-Nyström methods for the numerical integration of the Schrödinger equation
• Construction of an optimized explicit Runge-Kutta-Nyström method for the numerical solution of oscillatory initial value problems
• 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
• On modified Runge-Kutta trees and methods
• 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
• A phase-fitted Runge-Kutta-Nyström method for the numerical solution of initial value problems with oscillating solutions
• 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
• A four-step phase-fitted method for the numerical integration of second order initial-value 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
• 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
• A new family of two stage symmetric two-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation
• Exponentially and trigonometrically fitted methods for the solution of the Schrödinger equation
• A family of trigonometrically fitted partitioned Runge-Kutta symplectic methods
• 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 Noumerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems. II: Explicit method
• Two-step methods for the numerical solution of the Schrödinger equation
• 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
• New hybrid two-step method with optimized phase and stability characteristics
• New Runge-Kutta type symmetric two-step method with optimized characteristics
• On ninth order, explicit Numerov-type methods with constant coefficients
• New five-stages two-step method with improved characteristics
• An efficient and economical high order method for the numerical approximation of the Schrödinger equation
• 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
• A four stages numerical pair with optimal phase and stability properties
• A finite difference pair with improved phase and stability properties
• 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
• A hybrid finite difference pair with maximum phase and stability properties
• New finite difference pair with optimized phase and stability properties
• New four-stages symmetric six-step method with improved phase properties for second order problems with periodical and/or oscillating solutions
• New Runge-Kutta type symmetric two step finite difference pair with improved properties for second order initial and/or boundary value problems
• A new multistep method with optimized characteristics for initial and/or boundary value problems
• New multiple stages scheme with improved properties for second order problems
• New three-stages symmetric two step method with improved properties for second order initial/boundary value problems
• 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
• New hybrid symmetric two step scheme with optimized characteristics for second order problems
• A new multistep finite difference pair for the Schrödinger equation and related problems
• A new two-step finite difference pair with optimal properties
• Trigonometric-fitted explicit Numerov-type method with vanishing phase-lag and its first and second derivatives
• 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
• A symmetric eight-step predictor-corrector method for the numerical solution of the radial Schrödinger equation and related IVPs with oscillating solutions
• An optimized explicit Runge-Kutta-Nyström method for the numerical solution of orbital and related periodical initial value problems
• Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation
• Trigonometrical fitting conditions for two derivative Runge-Kutta methods
• A three-stages multistep teeming in phase algorithm for computational problems in chemistry
• A four-stages multistep fraught in phase method for quantum chemistry problems
• A new explicit four-step method with vanished phase-lag and its first and second derivatives
• Optimization as a function of the phase-lag order of nonlinear explicit two-step \(P\)-stable method for linear periodic IVPs
• Hybrid Numerov-type methods with coefficients trained to perform better on classical orbits
• Neural network solution of single-delay differential equations
• A multistage two-step fraught in phase scheme for problems in mathematical chemistry
• A Runge-Kutta type implicit high algebraic order two-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of coupled differential equations arising from the Schrödinger equation
• 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
• Phase-fitted Runge-Kutta pairs of orders 8(7)
• A new fourteenth algebraic order finite difference method for the approximate solution of the Schrödinger equation
• An economical eighth-order method for the approximation of the solution of the Schrödinger equation
• An explicit Numerov-type method for second-order differential equations with oscillating solutions
• 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
• An efficient and computational effective method for second order problems
• New multiple stages two-step complete in phase algorithm with improved characteristics for second order initial/boundary value problems
• New multiple stages multistep method with best possible phase properties for second order initial/boundary value problems
• New four stages multistep in phase algorithm with best possible properties for second order problems
• New multistage two-step complete in phase scheme with improved properties for quantum chemistry problems
• A new multistage multistep full in phase algorithm with optimized characteristics for problems in chemistry
• A new four-stages two-step phase fitted scheme for problems in quantum chemistry
• Evolutionary derivation of sixth-order P-stable SDIRKN methods for the solution of PDEs with the method of lines
• A family of high-order multistep methods with vanished phase-lag and its derivatives for the numerical solution of the 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
• 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
• New five-stages finite difference pair with optimized phase properties
• 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
• A five-stages symmetric method with improved phase properties
• A NEW SYMMETRIC EIGHT-STEP PREDICTOR-CORRECTOR METHOD FOR THE NUMERICAL SOLUTION OF THE RADIAL SCHRÖDINGER EQUATION AND RELATED ORBITAL PROBLEMS
• Evolutionary generation of high-order, explicit, two-step methods for second-order linear IVPs
• A new family of 7 stages, eighth-order explicit Numerov-type methods
• Predictor-Corrector Methods for Periodic Second-Order Initial-Value Problems
• A one-step method for direct integration of structural dynamic equations
• Symmetric Multistip Methods for Periodic Initial Value Problems
• Fitted modifications of Runge‐Kutta pairs of orders 6(5)
• Explicit, two‐stage, sixth‐order, hybrid four‐step methods for solving
• Fitted modifications of classical Runge‐Kutta pairs of orders 5(4)
• Modified two‐step hybrid methods for the numerical integration of oscillatory problems
• Trigonometric–fitted hybrid four–step methods of sixth order for solving
• Trigonometric fitted, eighth‐order explicit Numerov‐type methods
• A NEW METHODOLOGY FOR THE CONSTRUCTION OF OPTIMIZED RUNGE–KUTTA–NYSTRÖM METHODS
• TWO NEW PHASE-FITTED SYMPLECTIC PARTITIONED RUNGE–KUTTA METHODS
• A new high algebraic order efficient finite difference method for the solution of the Schrödinger equation
• Variable step‐size implementation of sixth‐order Numerov‐type methods
• Low‐order, P‐stable, two‐step methods for use with lax accuracies
• Local interpolants for Numerov‐type methods and their implementation in variable step schemes
• Interpolants for sixth‐order Numerov‐type methods
• Explicit hybrid six–step, sixth order, fully symmetric methods for solving  y ″ = f (x,y)
• Phase‐fitted, six‐step methods for solving x′′  =  f(t,x)
• New fifth‐order two‐derivative Runge‐Kutta methods with constant and frequency‐dependent coefficients
• Hybrid, phase–fitted, four–step methods of seventh order for solving x″(t) = f(t,x)
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