Comparison of some special optimized fourth-order Runge-Kutta methods for the numerical solution of the Schrödinger equation

DOI10.1016/J.CPC.2004.11.002MaRDI QIDQ709691zbMATH OpenOpenAlexFDO

Authors Hans Van de Vyver

Publication date 18 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2004.11.002

zbMATH Keywords

exponential fittingresonance problemexplicit Runge-Kutta methodsphase fittingbound-states problemradial Schrödinger equation

Mathematics Subject Classification ID

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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Cited in

(65)

• A new modified embedded 5(4) pair of explicit Runge-Kutta methods for the numerical solution of the Schrödinger equation
• A phase fitted FiniteDiffr process for DiffrntEqutns in chemistry
• Full in phase finite difference algorithm for differential equations in quantum chemistry
• An accomplished phase FD process for DEs in chemistry
• A complete in phase FinitDiff procedure for DiffEquns in chemistry
• A phase fitted FinDiff process for DifEquns in quantum chemistry
• An integrated in phase FD procedure for DiffEqns in chemical problems
• THDRK methods with vanished phase-lag and its first derivative for the Schrödinger equation
• A perfect in phase FD algorithm for problems in quantum chemistry
• Trigonometrically-fitted multi-derivative linear methods for the resonant state of the Schrödinger equation
• A new finite difference method with optimal phase and stability properties for problems in chemistry
• Efficient FinDiff algorithm with optimal phase properties for problems in quantum chemistry
• A new method with vanished phase-lag and its derivatives of the highest order for problems in quantum chemistry
• A new FinDiff numerical scheme with phase-lag and its derivatives equal to zero for periodic initial value problems
• A new algorithm with eliminated phase-lag and its derivatives up to order five for problems in quantum chemistry
• New FD scheme with vanished phase-lag and its derivatives up to order six for problems in chemistry
• Solution to quantum chemistry problems using a phase-fitting, singularly P-stable, cost-effective two-step approach with disappearing phase-lag derivatives up to order 5
• Modified two-derivative Runge-Kutta methods for the Schrödinger equation
• Two-derivative Runge-Kutta methods with increased phase-lag and dissipation order for the Schrödinger equation
• A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry
• Runge-Kutta type methods with special properties for the numerical integration of ordinary differential equations
• A low-cost, two-step fourteenth-order phase-fitting approach to tackling problems in chemistry
• A complete in phase FiniteDiffrnc algorithm for DiffrntEqutins in chemistry
• A finite difference method with zero phase-lag and its derivatives for quantum chemistry problems
• A finite difference method with phase-lag and its derivatives equal to zero for problems in chemistry
• Complete in phase method for problems in chemistry
• An effective multistep fourteenth-order phase-fitting approach to solving chemistry problems
• The use of a multistep, cost-efficient fourteenth-order phase-fitting method to chemistry problems
• Stability and phase-lag analysis of explicit Runge-Kutta methods with variable coefficients for oscillatory problems
• An explicit trigonometrically fitted Runge–Kutta method for stiff and oscillatory problems with two frequencies
• Optimized fourth-order Runge-Kutta method for solving oscillatory problems
• An optimized explicit Runge-Kutta method with increased phase-lag order for the numerical solution of the Schrödinger equation and related problems
• A new economical method with eliminated phase-lag and its derivative for problems in chemistry
• A new method with improved phase-lag and stability properties for problems in quantum chemistry - an economical case
• An economical two-step method with improved phase and stability properties for problems in chemistry
• A very efficient and sophisticated fourteenth-order phase-fitting method for addressing chemical issues
• A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry
• An economical two-step method with optimal phase and stability properties for problems in chemistry
• Two-step method with vanished phase-lag and its derivatives for problems in quantum chemistry: an economical case
• An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues
• An embedded phase-fitted modified Runge-Kutta method for the numerical integration of the radial Schrödinger equation
• An optimized Runge-Kutta method for the numerical solution of the radial Schrödinger equation
• A new improved economical finite difference method for problems in quantum chemistry
• A multistep method with optimal phase and stability properties for problems in quantum chemistry
• Modified explicit Runge-Kutta methods for the numerical solution of the Schrödinger equation
• Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems
• A new embedded 5(3) pair of modified Runge-Kutta-Nyström methods for the numerical solution of the Schrödinger equation
• Highly precise solutions of the one-dimensional Schrödinger equation with an arbitrary potential
• Phase-fitting, singularly P-stable, cost-effective two-step approach to solving problems in quantum chemistry with vanishing phase-lag derivatives up to order 6
• Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry
• New optimized two-derivative Runge-Kutta type methods for solving the radial Schrödinger equation
• A singularly P-stable two-step method with improved characteristics for problems in chemistry
• AN EMBEDDED 5(4) PAIR OF MODIFIED EXPLICIT RUNGE–KUTTA METHODS FOR THE NUMERICAL SOLUTION OF THE SCHRÖDINGER EQUATION
• Phase fitted method for quantum chemistry problems
• A multistep conditionally P-stable method with phase properties of high order for problems in quantum chemistry
• New FD methods with phase-lag and its derivatives equal to zero for periodic initial value problems
• A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems
• A two-step method singularly P-Stable with improved properties for problems in quantum chemistry
• A two-step singularly P-Stable method with high phase and large stability properties for problems in chemistry
• A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry
• A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry
• Phase fitted algorithm for problems in quantum chemistry
• Solution of quantum chemical problems using an extremely successful and reasonably cost two-step, fourteenth-order phase-fitting approach
• Solution of quantum chemical problems by a very effective and relatively inexpensive two-step, fourteenth-order, phase-fitting procedure
• Exponentially fitted TDRK pairs for the Schrödinger equation

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