A multiple stage absolute in phase scheme for chemistry problems (Q2334492)

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English	A multiple stage absolute in phase scheme for chemistry problems	scientific article

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scholarly article

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A multiple stage absolute in phase scheme for chemistry problems (English)

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Theodore E. Simos

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Journal of Mathematical Chemistry

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publication date

7 November 2019

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zbMATH Keywords

phase-lag

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derivative of the phase-lag

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initial value problems

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oscillating solution

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symmetric

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hybrid

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multistep

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Schrödinger equation

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describes a project that uses

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MaRDI profile type

MaRDI publication profile

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full work available at URL

https://doi.org/10.1007/s10910-019-01054-9

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The numerical solution of coupled differential equations arising from the Schrödinger equation

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Analytical Mechanics for Relativity and Quantum Mechanics

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High-accuracy <i>P</i>-stable Methods for <i>y<sup>″</sup></i> = <i>f(t, y)</i>

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Families of two-step fourth order \(P\)-stable methods for second order differential equations

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A Noumerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems. II: Explicit method

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Two-step fourth-order \(P\)-stable methods with phase-lag of order six for \(y''=f(t,y)\)

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An explicit sixth-order method with phase-lag of order eight for \(y''=f(t,y)\)

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A high-order two-step phase-fitted method for the numerical solution of the Schrödinger equation

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An efficient numerical method for the solution of the Schrödinger equation

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A new high algebraic order efficient finite difference method for the solution of the Schrödinger equation

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A two-stage fourth-order ``almost'' P-stable method for oscillatory problems

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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

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An economical eighth-order method for the approximation of the solution of the Schrödinger equation

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An efficient and computational effective method for second order problems

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An efficient and economical high order method for the numerical approximation of the Schrödinger equation

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A four stages numerical pair with optimal phase and stability properties

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A finite difference pair with improved phase and stability properties

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Numerical Methods for <i>y</i>″ =<i>f</i>(<i>x</i>, <i>y</i>) via Rational Approximations for the Cosine

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P-stability and exponential-fitting methods for y'' = f(x,y)

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A new two-step finite difference pair with optimal properties

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Coleman's method maximally adapted to the Schrödinger equation

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Numerov method maximally adapted to the Schrödinger equation

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Four-step exponential-fitted methods for nonlinear physical problems

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Four step methods for \(y''=f(x,y)\)

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New three-stages symmetric two step method with improved properties for second order initial/boundary value problems

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New Runge-Kutta type symmetric two step finite difference pair with improved properties for second order initial and/or boundary value problems

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A new multistep method with optimized characteristics for initial and/or boundary value problems

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Trigonometrical fitting conditions for two derivative Runge-Kutta methods

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New multiple stages two-step complete in phase algorithm with improved characteristics for second order initial/boundary value problems

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Exponential-fitted four-step methods for

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Exponentially fitted variable two-step BDF algorithm for first order ODEs

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Exponential Fitting method for the time-dependent Schrödinger equation

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Weights of the exponential fitting multistep algorithms for first-order ODEs

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A conditionally \(P\)-stable fourth-order exponential-fitting method for \(y''=f(x,y)\)

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A multistage two-step fraught in phase scheme for problems in mathematical chemistry

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A finite-difference method for the numerical solution of the Schrödinger equation

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A three-stages multistep teeming in phase algorithm for computational problems in chemistry

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A Runge-Kutta type crowded in phase algorithm for quantum chemistry problems

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A parametric symmetric linear four-step method for the efficient integration of the Schrödinger equation and related oscillatory problems

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A four-step phase-fitted method for the numerical integration of second order initial-value problems

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High-order P-stable multistep methods

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Stabilization of Cowell's method

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A variable step method for the numerical integration of the one- dimensional Schrödinger equation

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Exponential and Bessel fitting methods for the numerical solution of the Schrödinger equation

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Analysis of a family of Chebyshev methods for \(y''=f(x,y)\)

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Mixed collocation methods for \(y''=f(x,y)\)

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Hybrid Numerov-type methods with coefficients trained to perform better on classical orbits

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Chebyshevian multistep methods for ordinary differential equations

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Phase properties of high order, almost P-stable formulae

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Symmetric Multistip Methods for Periodic Initial Value Problems

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A generator of hybrid symmetric four-step methods for the numerical solution of the Schrödinger equation

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Phase‐fitted, six‐step methods for solving <i>x</i><i>′</i><i>′</i> = <i>f</i>(<i>t</i>,<i>x</i>)

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Evolutionary derivation of sixth-order P-stable SDIRKN methods for the solution of PDEs with the method of lines

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New fifth‐order two‐derivative Runge‐Kutta methods with constant and frequency‐dependent coefficients

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Hybrid, phase–fitted, four–step methods of seventh order for solving <i>x</i><i>″</i>(<i>t</i>) = <i>f</i>(<i>t</i>,<i>x</i>)

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Two-step methods for the numerical solution of the Schrödinger equation

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Exponential-fitting methods for the numerical integration of the fourth-order differential equation \(y^{IV}+f\cdot y=g\)

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Runge-Kutta methods with minimal dispersion and dissipation for problems arising from computational acoustics

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Multiderivative methods of eighth algebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equation

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Trigonometrically-fitted method with the Fourier frequency spectrum for undamped Duffing equation

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An optimized Runge-Kutta method for the solution of orbital problems

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Closed Newton-Cotes trigonometrically-fitted formulae of high order for long-time integration of orbital problems

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Optimization as a function of the phase-lag order of nonlinear explicit two-step \(P\)-stable method for linear periodic IVPs

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Exponentially and trigonometrically fitted methods for the solution of the Schrödinger equation

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New stable closed Newton-Cotes trigonometrically fitted formulae for long-time integration

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Optimizing a hybrid two-step method for the numerical solution of the Schrödinger equation and related problems with respect to phase-lag

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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

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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

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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

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A family of explicit linear six-step methods with vanished phase-lag and its first derivative

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An explicit four-step method with vanished phase-lag and its first and second derivatives

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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

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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

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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

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A new optimized symmetric 8-step semi-embedded predictor-corrector method for the numerical solution of the radial Schrödinger equation and related orbital problems

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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

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High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equation

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The use of phase lag and amplification error derivatives for the construction of a modified Runge-Kutta-Nyström method

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A new family of symmetric linear four-step methods for the efficient integration of the Schrödinger equation and related oscillatory problems

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A family of high-order multistep methods with vanished phase-lag and its derivatives for the numerical solution of the Schrödinger equation

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On modified Runge-Kutta trees and methods

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Phase-fitted Runge-Kutta pairs of orders 8(7)

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Trigonometric–fitted hybrid four–step methods of sixth order for solving

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On ninth order, explicit Numerov-type methods with constant coefficients

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Evolutionary generation of high-order, explicit, two-step methods for second-order linear IVPs

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A new family of 7 stages, eighth-order explicit Numerov-type methods

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Trigonometric fitted, eighth‐order explicit Numerov‐type methods

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Fitted modifications of classical Runge‐Kutta pairs of orders 5(4)

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Trigonometric-fitted explicit Numerov-type method with vanishing phase-lag and its first and second derivatives

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Fitted modifications of Runge‐Kutta pairs of orders 6(5)

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Explicit, two‐stage, sixth‐order, hybrid four‐step methods for solving

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Construction of an optimized explicit Runge-Kutta-Nyström method for the numerical solution of oscillatory initial value problems

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New modified Runge-Kutta-Nyström methods for the numerical integration of the Schrödinger equation

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A family of trigonometrically fitted partitioned Runge-Kutta symplectic methods

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Construction of exponentially fitted symplectic Runge-Kutta-Nyström methods from partitioned Runge-Kutta methods

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Modified two‐step hybrid methods for the numerical integration of oscillatory problems

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A new approach on the construction of trigonometrically fitted two step hybrid methods

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An optimized two-step hybrid block method for solving general second order initial-value problems

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High order closed Newton-Cotes trigonometrically-fitted formulae for the numerical solution of the Schrödinger equation

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An exponentially-fitted and trigonometrically-fitted method for the numerical solution of periodic initial-value problems.

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A new explicit hybrid four-step method with vanished phase-lag and its derivatives

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An eight-step semi-embedded predictor-corrector method for orbital problems and related IVPs with oscillatory solutions for which the frequency is unknown

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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

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

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Families of Runge-Kutta-Nystrom Formulae

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A family of embedded Runge-Kutta formulae

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A new Numerov-type method for the numerical solution of the Schrödinger equation

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Two-step high order hybrid explicit method for the numerical solution of the Schrödinger equation

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Identifiers

zbMATH Open document ID

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10.1007/s10910-019-01054-9

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Mathematics Subject Classification ID

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zbMATH DE Number

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Sitelinks

Mathematics(1 entry)

mardi Publication:2334492

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