New second-order exponentially and trigonometrically fitted symplectic integrators for the numerical solution of the time-independent Schrödinger equation

DOI10.1007/S10910-006-9129-2MaRDI QIDQ2468693zbMATH OpenOpenAlexFDO

Authors T. Monovasilis, T. E. Simos

Publication date 25 January 2008

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

Full work available at URL https://doi.org/10.1007/s10910-006-9129-2

zbMATH Keywords

exponential FittingHamiltonian canonical equationSchrödinger equationsymplectic integratorstrigonometric Fitting

Mathematics Subject Classification ID

Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

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Cites work

• A family of \(P\)-stable exponentially-fitted methods for the numerical solution of the Schrödinger equation
• A family of multiderivative methods 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 new explicit Bessel and Neumann fitted eighth algebraic order method for the numerical solution of the Schrödinger equation
• A P-stable exponentially-fitted method for the numerical integration of the Schrödinger equation
• Effective Numerical Approximation of Schrödinger type Equations through Multiderivative Exponentially-fitted Schemes
• Efficient Numerical Solution of Orbital Problems with the use of Symmetric Four-step Trigonometrically-fitted Methods
• Eigenvalue problem for a set of coupled Schrödinger like ODEs
• Embedded eighth order methods for the numerical solution of the Schrödinger equation
• Exponentially-fitted algorithms: fixed or frequency dependent knot points?
• Exponentially-fitted multiderivative methods for the numerical solution of the Schrödinger equation
• Fourth-order symplectic integration
• scientific article; zbMATH DE number 3601149 (Why is no real title available?)
• New P-stable eighth algebraic order exponentially-fitted methods for the numerical integration of the Schrödinger equation
• Sixth algebraic order trigonometrically fitted predictor-corrector methods for the numerical solution of the radial Schrödinger equation
• Symplectic methods of fifth order for the numerical solution of the radial Schrödinger equation
• The accuracy of symplectic integrators
• Trigonometrically fitted Runge-Kutta methods for the numerical solution of the Schrödinger equation

Cited in

(59)

• A family of trigonometrically fitted partitioned Runge-Kutta symplectic methods
• 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
• A new multistep finite difference pair for the Schrödinger equation and related problems
• 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
• Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation
• The Collatz conjecture and the quantum mechanical harmonic oscillator
• A new explicit four-step method with vanished phase-lag and its first and second derivatives
• Exponential and trigonometrical fittings: user-friendly expressions for the coefficients
• 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
• New multiple stages multistep method with best possible phase properties for second order initial/boundary value problems
• 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
• Explicit multi-symplectic extended leap-frog methods for Hamiltonian wave equations
• Exponentially fitted symplectic methods for the numerical 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
• 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
• 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
• Error enclosure for coefficients perturbation methods applied to boundary value problems
• Symplectic and exponentially fitted symplectic methods of second and third order
• 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 open modified trigonometrically-fitted Newton-Cotes type multilayer symplectic integrators for the numerical solution of the Schrödinger equation
• Symplectic partitioned Runge-Kutta methods with the phase-lag property
• Phase fitted symplectic partitioned Runge-Kutta methods for the numerical integration 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
• Trigonometrically and Exponentially fitted Symplectic Methods of third order for the Numerical Integration of the Schrödinger Equation
• A family of eight-step methods with vanished phase-lag and its derivatives for the numerical integration 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
• High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation
• 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

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