A multiple stage absolute in phase scheme for chemistry problems
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Publication:2334492
hybridinitial value problemsderivative of the phase-lagmultisteposcillating solutionphase-lagsymmetricSchrödinger equation
Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Numerical methods for initial value problems involving ordinary differential equations (65L05) Applications of operator theory in chemistry and life sciences (47N60)
Cites work
- scientific article; zbMATH DE number 6537505 (Why is no real title available?)
- scientific article; zbMATH DE number 52120 (Why is no real title available?)
- A Noumerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems. II: Explicit method
- A Runge-Kutta type crowded in phase algorithm for quantum chemistry problems
- 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 conditionally \(P\)-stable fourth-order exponential-fitting method for \(y=f(x,y)\)
- A family of embedded Runge-Kutta formulae
- A family of explicit linear six-step methods with vanished phase-lag and its first derivative
- A family of high-order multistep methods with vanished phase-lag and its derivatives for the numerical solution of the Schrödinger equation
- A family of trigonometrically fitted partitioned Runge-Kutta symplectic methods
- A finite difference pair with improved phase and stability properties
- A finite-difference method for the numerical solution of the Schrödinger equation
- A four stages numerical pair with optimal phase and stability properties
- A four-step phase-fitted method for the numerical integration of second order initial-value problems
- A generator of hybrid symmetric four-step methods for the numerical solution 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 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-order two-step phase-fitted 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 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
- A multistage two-step fraught in phase scheme for problems in mathematical chemistry
- A new Numerov-type method for the numerical solution of the Schrödinger equation
- A new approach on the construction of trigonometrically fitted two step hybrid methods
- A new explicit hybrid four-step method with vanished phase-lag and its derivatives
- A new family of 7 stages, eighth-order explicit Numerov-type methods
- A new family of symmetric linear four-step methods for the efficient integration of the Schrödinger equation and related oscillatory problems
- 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
- A new high algebraic order efficient finite difference method for the solution of the Schrödinger equation
- A new multistep method with optimized characteristics for initial and/or boundary value problems
- A new optimized symmetric 8-step semi-embedded predictor-corrector method for the numerical solution of the radial Schrödinger equation and related orbital problems
- A new two-step finite difference pair with optimal properties
- A parametric symmetric linear four-step method for the efficient integration of the Schrödinger equation and related oscillatory problems
- 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 three-stages multistep teeming in phase algorithm for computational problems in chemistry
- A two-stage fourth-order ``almost P-stable method for oscillatory problems
- A variable step method for the numerical integration of the one- dimensional Schrödinger equation
- An economical eighth-order method for the approximation of the solution of the Schrödinger equation
- An efficient and computational effective method for second order problems
- An efficient and economical high order method for the numerical approximation of the Schrödinger equation
- An efficient numerical method for the solution 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
- An explicit four-step method with vanished phase-lag and its first and second derivatives
- An explicit sixth-order method with phase-lag of order eight for \(y=f(t,y)\)
- An exponentially-fitted and trigonometrically-fitted method for the numerical solution of periodic initial-value problems.
- An optimized Runge-Kutta method for the solution of orbital problems
- An optimized two-step hybrid block method for solving general second order initial-value problems
- Analysis of a family of Chebyshev methods for \(y=f(x,y)\)
- Analytical Mechanics for Relativity and Quantum Mechanics
- Chebyshevian multistep methods for ordinary differential equations
- Closed Newton-Cotes trigonometrically-fitted formulae of high order for long-time integration of orbital problems
- Coleman's method maximally adapted to the Schrödinger equation
- Comparison of some four-step methods for the numerical solution of the Schrödinger equation
- Construction of an optimized explicit Runge-Kutta-Nyström method for the numerical solution of oscillatory initial value problems
- Construction of exponentially fitted symplectic Runge-Kutta-Nyström methods from partitioned Runge-Kutta methods
- 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
- Evolutionary derivation of sixth-order P-stable SDIRKN methods for the solution of PDEs with the method of lines
- Evolutionary generation of high-order, explicit, two-step methods for second-order linear IVPs
- Explicit Numerov type methods with constant coefficients: a review
- Explicit, two-stage, sixth-order, hybrid four-step methods for solving \(y=(x)=f(x,y)\)
- Exponential Fitting method for the time-dependent Schrödinger equation
- Exponential and Bessel fitting methods for the numerical solution of the Schrödinger equation
- Exponential-fitted four-step methods for
- Exponential-fitting methods for the numerical integration of the fourth-order differential equation \(y^{IV}+f\cdot y=g\)
- Exponentially and trigonometrically fitted methods for the solution of the Schrödinger equation
- Exponentially fitted variable two-step BDF algorithm for first order ODEs
- Families of Runge-Kutta-Nystrom Formulae
- Families of two-step fourth order \(P\)-stable methods for second order differential equations
- Fitted modifications of Runge-Kutta pairs of orders 6(5)
- Fitted modifications of classical Runge-Kutta pairs of orders 5(4)
- Four stages symmetric two-step P-stable method with vanished phase-lag and its first, second, third and fourth derivatives
- Four step methods for \(y=f(x,y)\)
- Four-step exponential-fitted methods for nonlinear physical problems
- High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation
- High order closed Newton-Cotes trigonometrically-fitted formulae for the numerical solution of the Schrödinger equation
- High phase-lag order, four-step methods for solving \(y^{\prime\prime} = f(x, y)\)
- High-accuracy P-stable Methods for y″ = f(t, y)
- High-order P-stable multistep methods
- Hybrid Numerov-type methods with coefficients trained to perform better on classical orbits
- Hybrid, phase-fitted, four-step methods of seventh order for solving \(x(t) = f(t,x)\)
- Mixed collocation methods for \(y=f(x,y)\)
- Modified two-step hybrid methods for the numerical integration of oscillatory problems
- Multiderivative methods of eighth algebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equation
- New Runge-Kutta type symmetric two step finite difference pair with improved properties for second order initial and/or boundary value problems
- New fifth-order two-derivative Runge-Kutta methods with constant and frequency-dependent coefficients
- 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 modified Runge-Kutta-Nyström methods for the numerical integration of the Schrödinger equation
- New multiple stages two-step complete in phase algorithm with improved characteristics for second order initial/boundary value problems
- New stable closed Newton-Cotes trigonometrically fitted formulae for long-time integration
- New three-stages symmetric two step method with improved properties for second order initial/boundary value problems
- Numerical Methods for y″ =f(x, y) via Rational Approximations for the Cosine
- Numerov method maximally adapted to the Schrödinger equation
- On modified Runge-Kutta trees and methods
- On ninth order, explicit Numerov-type methods with constant coefficients
- Optimization as a function of the phase-lag order of nonlinear explicit two-step \(P\)-stable method for linear periodic IVPs
- Optimizing a hybrid two-step method for the numerical solution of the Schrödinger equation and related problems with respect to phase-lag
- P-stability and exponential-fitting methods for y = f(x,y)
- Phase properties of high order, almost P-stable formulae
- Phase-fitted Runge-Kutta pairs of orders 8(7)
- Phase‐fitted, six‐step methods for solving x′′ = f(t,x)
- Runge-Kutta methods with minimal dispersion and dissipation for problems arising from computational acoustics
- Stabilization of Cowell's method
- Symmetric Multistip Methods for Periodic Initial Value Problems
- The numerical solution of coupled differential equations arising from the Schrödinger equation
- The use of phase lag and amplification error derivatives for the construction of a modified Runge-Kutta-Nyström method
- Trigonometric fitted, eighth-order explicit Numerov-type methods
- Trigonometric-fitted explicit Numerov-type method with vanishing phase-lag and its first and second derivatives
- Trigonometric-fitted hybrid four-step methods of sixth order for solving \(y(x)= f(x,y)\)
- Trigonometrical fitting conditions for two derivative Runge-Kutta methods
- Trigonometrically-fitted method with the Fourier frequency spectrum for undamped Duffing equation
- Two-step fourth-order \(P\)-stable methods with phase-lag of order six for \(y=f(t,y)\)
- Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation
- Two-step methods for the numerical solution of the Schrödinger equation
- Weights of the exponential fitting multistep algorithms for first-order ODEs
Cited in
(20)- A new implicit high-order six-step singularly P-stable method for the numerical solution of Schrödinger equation
- 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
- Phase fitted algorithm for problems in quantum chemistry
- Efficient FinDiff algorithm with optimal phase properties 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
- A perfect in phase FD algorithm for problems in quantum chemistry
- A three-stages multistep teeming in phase algorithm for computational 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
- The new class of multistep multiderivative hybrid methods for the numerical solution of chemical stiff systems of first order IVPs
- Phase fitted method for quantum chemistry problems
- New FD methods with phase-lag and its derivatives equal to zero for periodic initial value problems
- A complete in phase FinitDiff procedure for DiffEquns in chemistry
- A phase fitted FiniteDiffr process for DiffrntEqutns in chemistry
- Full in phase finite difference algorithm for differential equations in quantum chemistry
- scientific article; zbMATH DE number 3989172 (Why is no real title available?)
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