On finite difference methods for the solution of the Schrödinger equation

From MaRDI portal
Revision as of 07:24, 8 February 2024 by Import240129110113 (talk | contribs) (Created automatically from import240129110113)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

Publication:4933858

DOI10.1016/S0097-8485(99)00023-6zbMath0940.65082MaRDI QIDQ4933858

P. S. Williams, Theodore E. Simos

Publication date: 19 July 2000

Published in: Computers & Chemistry (Search for Journal in Brave)




Related Items (94)

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 solutionsOne-step explicit methods for the numerical integration of perturbed oscillatorsAn 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 problemsFamily of symmetric linear six-step methods with vanished phase-lag and its derivatives and their application to the radial Schrödinger equation and related problemsA family of embedded explicit six-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equation: development and theoretical analysisTwo optimized symmetric eight-step implicit methods for initial-value problems with oscillating solutionsA new methodology for the development of numerical methods for the numerical solution of the Schrödinger equationA new methodology for the construction of numerical methods for the approximate solution of the Schrödinger equationHigh order multistep methods with improved phase-lag characteristics for the integration of the Schrödinger equationA new six-step algorithm with improved properties for the numerical solution of second order initial and/or boundary value problemsA 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 solutionsA new two-step hybrid method for the numerical solution of the Schrödinger equationA family of two stages tenth algebraic order symmetric six-step methods with vanished phase-lag and its first derivatives for the numerical solution of the radial Schrödinger equation and related problemsA new eight algebraic order embedded explicit six-step method with vanished phase-lag and its first, second, third and fourth derivatives for the numerical solution of the Schrödinger equationThree stages symmetric six-step method with eliminated phase-lag and its derivatives for the solution of the Schrödinger equationA new optimized symmetric 8-step semi-embedded predictor-corrector method for the numerical solution of the radial Schrödinger equation and related orbital problemsAn efficient six-step method for the solution of the Schrödinger equationP-stability, trigonometric-fitting and the numerical solution of the radial Schrödinger equationFast solution of Schrödinger's equation using linear combinations of plane wavesHigh algebraic order methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equationMulitstep methods with vanished phase-lag and its first and second derivatives for the numerical integration of the Schrödinger equationA four-step exponentially fitted method for the numerical solution of the Schrödinger equationA new high order two-step method with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equationNew multiple stages multistep method with best possible phase properties for second order initial/boundary value problemsSTABILIZATION OF A FOUR-STEP EXPONENTIALLY-FITTED METHOD AND ITS APPLICATION TO THE SCHRÖDINGER EQUATIONNumerical solutions for solving a class of fractional optimal control problems via fixed-point approachHigh order four-step hybrid method with vanished phase-lag and its derivatives for the approximate solution of the Schrödinger equationNew 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 analysisA new optimized Runge-Kutta pair for the numerical solution of the radial Schrödinger equation\(P\)-stable higher derivative methods with minimal phase-lag for solving second order differential equationsA generator of families of two-step numerical methods with free parameters and minimal phase-lagExponentially-fitted and trigonometrically-fitted symmetric linear multistep methods for the numerical integration of orbital problemsEvaluating Bohm’s quantum force in the scattering process by a classical potentialNew open modified trigonometrically-fitted Newton-Cotes type multilayer symplectic integrators for the numerical solution of the Schrödinger equationTrigonometrically fitted predictor--corrector methods for IVPs with oscillating solutionsA multistep method with optimal properties for second order differential equationsNew 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 equationOptimizing a hybrid two-step method for the numerical solution of the Schrödinger equation and related problems with respect to phase-lagAn exponentially-fitted and trigonometrically-fitted method for the numerical solution of periodic initial-value problems.A new hybrid two-step method with vanished phase-lag and its first and second derivatives for the numerical solution of the Schrödinger equation and related problemsA hybrid method with phase-lag and derivatives equal to zero for the numerical integration of the Schrödinger equationNew four-stages symmetric six-step method with improved phase properties for second order problems with periodical and/or oscillating solutionsTwo-step high order hybrid explicit method for the numerical solution of the Schrödinger equationA new four-step hybrid type method with vanished phase-lag and its first derivatives for each level for the approximate integration of the Schrödinger equationAn explicit four-step method with vanished phase-lag and its first and second derivativesA 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 equationA new explicit hybrid four-step method with vanished phase-lag and its derivativesAn explicit linear six-step method with vanished phase-lag and its first derivativeA family of explicit linear six-step methods with vanished phase-lag and its first derivativeA family of ten-step methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equationEfficient numerical method for simulating static and dynamic properties of superfluid helium.A two-step method with vanished phase-lag and its first two derivatives for the numerical solution of the Schrödinger equationEXPONENTIALLY AND TRIGONOMETRICALLY FITTED EXPLICIT ADVANCED STEP-POINT (EAS) METHODS FOR INITIAL VALUE PROBLEMS WITH OSCILLATING SOLUTIONSA 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 equationA 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 problemsEfficient 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 equationA 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 equationPiecewise-linearized methods for initial-value problems with oscillating solutionsA new multistep finite difference pair for the Schrödinger equation and related problemsA 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 problemsA P-stable exponentially-fitted method for the numerical integration of the Schrödinger equationTwo stages six-step method with eliminated phase-lag and its first, second, third and fourth derivatives for the approximation of the Schrödinger equationHigh order computationally economical six-step method with vanished phase-lag and its derivatives for the numerical solution of the Schrödinger equationA variable-step Numerov method for the numerical solution of the Schrödinger equationA family of multiderivative methods for the numerical solution of the Schrödinger equationDissipative trigonometrically-fitted methods for linear second-order IVPs with oscillating solution.Multiderivative methods of eighth algebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equationExponentially and trigonometrically fitted methods for the solution of the Schrödinger equationA new explicit four-step method with vanished phase-lag and its first and second derivativesA family of eight-step methods with vanished phase-lag and its derivatives for the numerical integration of the Schrödinger equationA family of four-step trigonometrically-fitted methods and its application to the Schrödinger equationClosed Newton-Cotes trigonometrically-fitted formulae of high order for the numerical integration of the Schrödinger equationA class of two-step explicit methods for periodic IVPsP-stable linear symmetric multistep methods for periodic initial-value problemsGeneralized Laguerre pseudospectral method based Laguerre interpolationHigh order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger equationOn the stability of a two-step method for solving periodic IVPsOptimal implicit exponentially-fitted Runge-Kutta methodsAn exponentially-fitted high order method for long-term integration of periodic initial-value problemsApplication of binomial coefficients in representing central difference solution to a class of PDE arising in chemistryAn improved discretization of Schrödinger-like radial equationsA new four-step Runge-Kutta type method with vanished phase-lag and its first, second and third derivatives for the numerical solution of the Schrödinger equationPentadiagonal alternating-direction-implicit finite-difference time-domain method for two-dimensional Schrödinger equationHigh order closed Newton-Cotes trigonometrically-fitted formulae for the numerical solution of the Schrödinger equationDiscrete unified gas kinetic scheme for incompressible Navier-Stokes equationsLegendre-Gauss collocation method for initial value problems of second order ordinary differential equationsA new Numerov-type method for the numerical solution of the Schrödinger equationA family of Runge-Kutta methods with zero phase-lag and derivatives for the numerical solution of the Schrödinger equation and related problemsHigh order phase fitted multistep integrators for the Schrödinger equation with improved frequency toleranceDiscrete Transparent Boundary Conditions for Multi-Band Effective Mass ApproximationsTwo-step explicit methods for second-order IVPs with oscillatory solutionsFrequency evaluation in exponential fitting multistep algorithms for ODEsA predictor-corrector explicit four-step method with vanished phase-lag and its first, second and third derivatives for the numerical integration of the Schrödinger equationExponentially-fitted Runge-Kutta-Nyström method for the numerical solution of initial-value problems with oscillating solutions




This page was built for publication: On finite difference methods for the solution of the Schrödinger equation