Comparison of some four-step methods for the numerical solution of the Schrödinger equation

DOI10.1016/0010-4655(85)90100-6MaRDI QIDQ1822909zbMATH OpenOpenAlexFDO

Authors L. Gr. Ixaru, M. Rizea

Publication date 1985

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

Full work available at URL https://doi.org/10.1016/0010-4655(85)90100-6

zbMATH Keywords

comparison of methodsfour-step methodsradial Schrödinger equation

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Numerical methods for initial value problems involving ordinary differential equations (65L05)

Cites work

• scientific article; zbMATH DE number 3470851 (Why is no real title available?)
• scientific article; zbMATH DE number 3182507 (Why is no real title available?)
• Two-step methods for the numerical solution of the Schrödinger equation

Cited in

(only showing first 100 items - show all)

• New hybrid symmetric two step scheme with optimized characteristics for second order problems
• 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
• A multistage two-step fraught in phase scheme for problems in mathematical chemistry
• A Runge-Kutta type crowded in phase algorithm for quantum chemistry problems
• A family of Runge-Kutta methods with zero phase-lag and derivatives for the numerical solution of the Schrödinger equation and related problems
• Trigonometrically fitted two-step Obrechkoff linear methods for the Schrödinger equation
• High algebraic order methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equation
• A multiple stage absolute in phase scheme for chemistry problems
• A perfect in phase FD algorithm for problems in quantum chemistry
• 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
• High order four-step hybrid method with vanished phase-lag and its derivatives for the approximate 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
• An embedded Runge-Kutta method with phase-lag of order infinity for the numerical solution 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
• New multiple stages multistep method with best possible phase properties for second order initial/boundary value problems
• An efficient six-step method for the solution of the Schrödinger equation
• A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry
• High order computationally economical six-step method with vanished phase-lag and its 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
• 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 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
• Three stages symmetric six-step method with eliminated phase-lag and its derivatives for the solution of the Schrödinger equation
• New five-stages two-step method with improved characteristics
• A new six-step algorithm with improved properties for the numerical solution of second order initial and/or boundary value problems
• A four stages numerical pair with optimal phase and stability properties
• A hybrid finite difference pair with maximum phase and stability properties
• New finite difference pair with optimized phase and stability properties
• A new explicit hybrid four-step method with vanished phase-lag and its derivatives
• A family of explicit linear six-step methods with vanished phase-lag and its first derivative
• An explicit four-step method with vanished phase-lag and its first and second derivatives
• An explicit linear six-step method with vanished phase-lag and its first derivative
• A new two-step finite difference pair with optimal properties
• High order phase fitted multistep integrators for the Schrödinger equation with improved frequency tolerance
• New three-stages symmetric two step method with improved properties for second order initial/boundary value problems
• scientific article; zbMATH DE number 5524182 (Why is no real title available?)
• Improving chemical problem-solving through the use of a fourteenth-order phase-fitting method
• The application of a fourteenth-order phase-fitting approach to enhance chemical problem-solving
• A low-cost, two-step fourteenth-order phase-fitting approach to tackling problems in chemistry
• A new multistage multistep full in phase algorithm with optimized characteristics for problems in chemistry
• 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
• Four-step exponential-fitted methods for nonlinear physical problems
• A four-stages multistep fraught in phase method for quantum chemistry problems
• Two optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutions
• 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
• A family of eight-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation
• 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
• A first-rate fourteenth-order phase-fitting approach to solving chemical problems
• 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 new Numerov-type method for the numerical solution of the Schrödinger equation
• New open modified trigonometrically-fitted Newton-Cotes type multilayer symplectic integrators 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
• Mulitstep methods with vanished phase-lag and its first and second derivatives for the numerical integration of the Schrödinger equation
• 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
• Fourth derivative singularly P-stable method for the numerical solution of the Schrödinger equation
• 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
• 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
• 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 new four-stages two-step phase fitted scheme for problems in quantum chemistry
• New multiple stages two-step complete in phase algorithm with improved characteristics for second order initial/boundary value problems
• A family of four-step trigonometrically-fitted methods and its application to the Schrödinger equation
• A two-step method with vanished phase-lag and its first two derivatives for the numerical 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
• Two-step high order hybrid explicit method 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 family of two-stage two-step methods for the numerical integration of the Schrödinger equation and related IVPs with oscillating solution
• 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 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
• 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 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 five-stages symmetric method with improved phase properties
• 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

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