Two-step method with vanished phase-lag and its derivatives for problems in quantum chemistry: an economical case
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Publication:2230702
DOI10.1007/S10910-021-01263-1zbMATH Open1476.81166OpenAlexW3183807515MaRDI QIDQ2230702FDOQ2230702
Authors: Maxim A. Medvedev, T. E. Simos 
Publication date: 28 September 2021
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-021-01263-1
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hybridinitial value problemsderivative of the phase-lagmultisteposcillating solutionphase-lagsymmetricSchrödinger equation
Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) 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) Chemistry (general) in thermodynamics and heat transfer (80A50)
Cites Work
- EXPFIT4 -- a FORTRAN program for the numerical solution of systems of nonlinear second-order initial-value problems
- Title not available (Why is that?)
- A family of embedded Runge-Kutta formulae
- Numerov made explicit has better stability
- Exponential and Bessel fitting methods for the numerical solution of the Schrödinger equation
- Dissipative Chebyshev exponential-fitted methods for numerical solution of second-order differential equations.
- Trigonometrically fitted nonlinear two-step methods for solving second order oscillatory IVPs
- Runge-Kutta-Nyström methods adapted to the numerical integration of perturbed oscillators
- A trigonometrically fitted explicit hybrid method for the numerical integration of orbital problems
- P-stable high-order super-implicit and Obrechkoff methods for periodic initial value problems
- P-stable exponentially-fitted Obrechkoff methods of arbitrary order for second-order differential equations
- Phase-fitted and amplification-fitted two-step hybrid methods for \(y^{\prime\prime }=f(x,y)\)
- A trigonometrically fitted explicit Numerov-type method for second-order initial value problems with oscillating solutions
- New methods for oscillatory systems based on ARKN methods
- Stabilization of Cowell's method
- \(P\)-stable Obrechkoff methods of arbitrary order for second-order differential equations
- Symmetric Multistip Methods for Periodic Initial Value Problems
- A General Procedure For the Adaptation of Multistep Algorithms to the Integration of Oscillatory Problems
- P-stability and exponential-fitting methods for y = f(x,y)
- An improved trigonometrically fitted P-stable Obrechkoff method for periodic initial-value problems
- A PHASE-FITTED AND AMPLIFICATION-FITTED EXPLICIT TWO-STEP HYBRID METHOD FOR SECOND-ORDER PERIODIC INITIAL VALUE PROBLEMS
- Mixed collocation methods for \(y=f(x,y)\)
- Exponentially fitted variable two-step BDF algorithm for first order ODEs
- 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 finite-difference method for the numerical solution of the Schrödinger equation
- 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
- Two-step high order hybrid explicit method for the numerical 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
- An explicit Numerov-type method for second-order differential equations with oscillating solutions
- The numerical solution of coupled differential equations arising from the Schrödinger equation
- Chebyshevian multistep methods for ordinary differential equations
- 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
- Families of Runge-Kutta-Nystrom Formulae
- A parallel boundary value technique for singularly perturbed two-point boundary value problems
- Some procedures for the construction of high-order exponentially fitted Runge-Kutta-Nyström methods of explicit type
- High-order P-stable multistep methods
- 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
- Two new embedded pairs of explicit Runge-Kutta methods adapted to the numerical solution of oscillatory problems
- Title not available (Why is that?)
- Sixth-order symmetric and symplectic exponentially fitted Runge-Kutta methods of the Gauss type
- Frequency evaluation for exponentially fitted Runge-Kutta methods
- Exponentially fitted symplectic integrators of RKN type for solving oscillatory problems
- Symplectic conditions for exponential fitting Runge-Kutta-Nyström methods
- The optimal exponentially-fitted Numerov method for solving two-point boundary value problems
- Present state-of-the-art in exponential fitting. A contribution dedicated to Liviu Ixaru on his 70th birthday
- Symplectic explicit methods of Runge-Kutta-Nyström type for solving perturbed oscillators
- Weights of the exponential fitting multistep algorithms for first-order ODEs
- Trigonometrically-fitted method for a periodic initial value problem with two frequencies
- On high order symmetric and symplectic trigonometrically fitted Runge-Kutta methods with an even number of stages
- Hamiltonian boundary value methods (energy preserving discrete line integral methods)
- High-order symmetric schemes for the energy conservation of polynomial Hamiltonian problems
- Numerical Methods for y″ =f(x, y) via Rational Approximations for the Cosine
- Symmetric and symplectic exponentially fitted Runge-Kutta methods of high order
- Sixth-order symmetric and symplectic exponentially fitted modified Runge-Kutta methods of Gauss type
- Structure preservation of exponentially fitted Runge-Kutta methods
- Families of two-step fourth order \(P\)-stable methods for second order differential equations
- Stability of explicit ARKN methods for perturbed oscillators
- High-accuracy P-stable Methods for y″ = f(t, y)
- A hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equation
- A method for the solution of the Schrödinger equation
- \(P\)-stable higher derivative methods with minimal phase-lag for solving second order differential equations
- Truncation Errors in Exponential Fitting for Oscillatory Problems
- A conditionally \(P\)-stable fourth-order exponential-fitting method for \(y=f(x,y)\)
- On some new low storage implementations of time advancing Runge-Kutta methods
- Exponential-fitted four-step methods for
- Arbitrarily precise numerical solutions of the one-dimensional Schrödinger equation
- Comparison of some special optimized fourth-order Runge-Kutta methods for the numerical solution of the Schrödinger equation
- Trigonometrically-fitted method with the Fourier frequency spectrum for undamped Duffing equation
- Exponential fitting BDF-Runge-Kutta algorithms
- Exponentially-fitted Obrechkoff methods for second-order differential equations
- Accuracy and linear stability of RKN methods for solving second-order stiff problems
- Optimization of explicit two-step hybrid methods for solving orbital and oscillatory problems
- Adapted BDF algorithms: Higher-order methods and their stability
- 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
- Exponential fitted Gauss, Radau and Lobatto methods of low order
- Intervals of periodicity and absolute stability of explicit Nyström methods for y=f(x,y)
- On the generation of \(P\)-stable exponentially fitted Runge-Kutta-Nyström methods by exponentially fitted Runge-Kutta methods.
- Two-step fourth-order \(P\)-stable methods with phase-lag of order six for \(y=f(t,y)\)
- Four-step exponential-fitted methods for nonlinear physical problems
- Unconditionally stable Noumerov-type methods for second order differential equations
- Two-step methods for the numerical solution of the Schrödinger equation
- Numerov method maximally adapted to the Schrödinger equation
- A new kind of discretization scheme for solving a two-dimensional time-independent Schrödinger equation
- Efficient one-step methods for the Schrödinger equation
- Exponential Fitting method for the time-dependent Schrödinger equation
- Explicit exponentially fitted two-step hybrid methods of high order for second-order oscillatory IVPs
- A Noumerov-type method with minimal phase-lag for the integration of second order periodic initial-value problems
- Four step methods for \(y=f(x,y)\)
- The various order explicit multistep exponential fitting for systems of ordinary differential equations
- The arbitrary order implicit multistep schemes of exponential fitting and their applications
- Obrechkoff one-step method fitted with Fourier spectrum for undamped Duffing equation
- The Numerov method and singular potentials
- Finite difference approach for the two-dimensional Schrödinger equation with application to scission-neutron emission
- Exponential-fitting methods for the numerical integration of the fourth-order differential equation \(y^{IV}+f\cdot y=g\)
- A new class of explicit two-step fourth order methods for \(y=f(t,y)\) with extended intervals of periodicity
- Coleman's method maximally adapted to the Schrödinger equation
- Families of fifth order Nyström methods for y=f(x,y) and intervals of periodicity
- Analysis of a family of Chebyshev methods for \(y=f(x,y)\)
- A two-stage fourth-order ``almost P-stable method for oscillatory problems
- Singly-implicit stabilized extended one-step methods for second-order initial-value problems with oscillating solutions
- A generator of families of two-step numerical methods with free parameters and minimal phase-lag
- A finite difference pair with improved phase and stability properties
- Properties and implementation of \(r\)-Adams methods based on mixed-type interpolation
- A three-stages multistep teeming in phase algorithm for computational problems in chemistry
- 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
- An integrated in phase FD procedure for DiffEqns in chemical problems
- A phase fitted FinDiff process for DifEquns in quantum chemistry
- A complete in phase FinitDiff procedure for DiffEquns in chemistry
- An economical eighth-order method for the approximation of the solution of the Schrödinger equation
- A P-STABLE EIGHTEENTH-ORDER SIX-STEP METHOD FOR PERIODIC INITIAL VALUE PROBLEMS
- Non-dissipative extended one-step methods for oscillatory problems
- Numerical operations on oscillatory functions
- A parallel ODE solver adapted to oscillatory problems
- A new improved economical finite difference method for problems in quantum 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
Cited In (7)
- A new method with vanished phase-lag and its derivatives of the highest order for problems in quantum chemistry
- A phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry
- A finite difference method with zero phase-lag and its derivatives for quantum chemistry problems
- A new economical method with eliminated phase-lag and its derivative for problems in chemistry
- An economical two-step method with improved phase and stability properties for problems in chemistry
- An economical two-step method with optimal phase and stability properties for problems in chemistry
- A new improved economical finite difference method for problems in quantum chemistry
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