A three-stages multistep teeming in phase algorithm for computational problems in chemistry
From MaRDI portal
Publication:2000927
DOI10.1007/s10910-019-01024-1zbMath1417.81172OpenAlexW2938939358WikidataQ128118001 ScholiaQ128118001MaRDI QIDQ2000927
Maxim A. Medvedev, Theodore E. Simos
Publication date: 1 July 2019
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-019-01024-1
initial value problemsSchrödinger equationphase-lagsymmetrichybridmultistepderivative of the phase-lagoscillating solution
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) Molecular physics (81V55)
Related Items
A new finite difference method with optimal phase and stability properties for problems in chemistry, New FD methods with phase-lag and its derivatives equal to zero for periodic initial value problems, A new implicit high-order six-step singularly P-stable method for the numerical solution of Schrödinger equation, 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 multistep method with optimal phase and stability properties for problems in quantum chemistry, A multistep conditionally P-stable method with phase properties of high order for problems in quantum 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 and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry, A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry, A phase fitted FiniteDiffr process for DiffrntEqutns in chemistry, A complete in phase FiniteDiffrnc algorithm for DiffrntEqutins in chemistry, Full in phase finite difference algorithm for differential equations in quantum chemistry, Solution of quantum chemical problems by a very effective and relatively inexpensive two-step, fourteenth-order, phase-fitting procedure, 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, Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems, Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry, An exceedingly effective and inexpensive two-step, fourteenth-order phase-fitting method for solving quantum chemical issues, 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, 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, Two-step method with vanished phase-lag and its derivatives for problems in quantum chemistry: an economical case, An economical two-step method with optimal phase and stability properties for problems in chemistry, An accomplished phase FD process for DEs in chemistry, 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 new improved economical finite difference method for problems in quantum chemistry, An integrated in phase FD procedure for DiffEqns in chemical problems, Algorithm for the development of families of numerical methods based on phase-lag Taylor series, A phase fitted FinDiff process for DifEquns in quantum chemistry, A complete in phase FinitDiff procedure for DiffEquns in chemistry, A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry, A singularly P-stable two-step method with improved characteristics for problems in chemistry, 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, Phase fitted method for quantum chemistry problems, A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems, A perfect in phase FD algorithm for problems in quantum chemistry, A multiple stage absolute in phase scheme for 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
Uses Software
Cites Work
- 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 high algebraic order efficient finite difference method for the solution of the Schrödinger equation
- 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)
- Analytical Mechanics for Relativity and Quantum Mechanics
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- A new approach on the construction of trigonometrically fitted two step hybrid methods
- 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
- 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 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
- 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
- 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
- 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
- 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
- On modified Runge-Kutta trees and methods
- A dissipative exponentially-fitted method for the numerical solution of the Schrödinger equation and related problems
- 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
- High-order P-stable multistep methods
- Two optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutions
- 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
- Phase properties of high order, almost P-stable formulae
- A variable step method for the numerical integration of the one- dimensional Schrödinger equation
- A Noumerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems. II: Explicit method
- A family of embedded Runge-Kutta formulae
- A finite-difference method for the numerical solution of the Schrödinger equation
- Newton--Cotes formulae for long-time integration.
- Symplectic integrators for the numerical solution of the Schrödinger equation
- A generator of hybrid symmetric four-step methods for the numerical solution of the Schrödinger equation
- Trigonometrically fitted predictor--corrector methods for IVPs with oscillating solutions
- Zero dissipative, explicit Numerov-type methods for second order IVPs with oscillating solutions
- An exponentially-fitted and trigonometrically-fitted method for the numerical solution of periodic initial-value problems.
- New hybrid two-step method with optimized phase and stability characteristics
- New Runge-Kutta type symmetric two-step method with optimized characteristics
- 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 four stages numerical pair with optimal phase and stability properties
- A finite difference pair with improved 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
- 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 hybrid symmetric two step scheme with optimized characteristics for second order problems
- A new two-step finite difference pair with optimal properties
- Dissipative trigonometrically-fitted methods for linear second-order IVPs with oscillating solution.
- An optimized Runge-Kutta method for the solution of orbital problems
- A fourth algebraic order trigonometrically fitted predictor-corrector scheme for IVPs with oscillating solutions
- Multiderivative methods of eighth algebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equation
- Runge-Kutta methods with minimal dispersion and dissipation for problems arising from computational acoustics
- Trigonometric-fitted explicit Numerov-type method with vanishing phase-lag and its first and second derivatives
- An explicit sixth-order method with phase-lag of order eight for \(y=f(t,y)\)
- Comparison of some four-step methods 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
- Trigonometrical fitting conditions for two derivative Runge-Kutta methods
- Optimization as a function of the phase-lag order of nonlinear explicit two-step \(P\)-stable method for linear periodic IVPs
- 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)
- 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
- New multiple stages two-step complete in phase algorithm with improved characteristics 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 family of high-order multistep methods with vanished phase-lag and its derivatives for the numerical solution of the Schrödinger equation
- The numerical solution of coupled differential equations arising from the Schrödinger equation
- Stabilization of Cowell's method
- Chebyshevian multistep methods for ordinary differential equations
- New five-stages finite difference pair with optimized phase properties
- A five-stages symmetric method with improved phase properties
- Families of Runge-Kutta-Nystrom Formulae
- 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
- 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)