Numerical multistep methods for the efficient solution of quantum mechanics and related problems

ZA Anastassi, TE Simos - Physics Reports, 2009 - Elsevier
In this paper we present the recent development in the numerical integration of the
Schrödinger equation and related systems of ordinary differential equations with oscillatory …

Runge–Kutta type methods with special properties for the numerical integration of ordinary differential equations

Z Kalogiratou, T Monovasilis, G Psihoyios, TE Simos - Physics Reports, 2014 - Elsevier
In this work we review single step methods of the Runge–Kutta type with special properties.
Among them are methods specially tuned to integrate problems that exhibit a pronounced …

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

ZA Anastassi, TE Simos - Journal of Computational and Applied …, 2012 - Elsevier
In this article, we develop an explicit symmetric linear phase-fitted four-step method with a
free coefficient as parameter. The parameter is used for the optimization of the method in …

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

TE Simos - Applied Mathematics and Computation, 2009 - Elsevier
In this paper, we investigate the connection between The study of multistep symplectic
integrators is very poor although in the last decades several one step symplectic integrators …

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

TE Simos - Acta Applicandae Mathematicae, 2010 - Springer
In the present paper we compare the two methodologies for the development of
exponentially and trigonometrically fitted methods. One is based on the exact integration of …

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

I Alolyan, ZA Anastassi, TE Simos - Applied Mathematics and Computation, 2012 - Elsevier
In this article we develop a family of three explicit symmetric linear four-step methods. The
new methods, with nullified phase-lag, are optimized for the efficient solution of the …

Present state-of-the-art in exponential fitting. A contribution dedicated to Liviu Ixaru on his 70th birthday

B Paternoster - Computer Physics Communications, 2012 - Elsevier
The standard monograph in this area is the book Exponential fitting by Ixaru and Vanden
Berghe (Kluwer, Boston-Dordrecht-London, 2004) but a fresh look on things is necessary …

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

TE Simos - Journal of mathematical chemistry, 2009 - Springer
In the present paper we develop a new methodology for the development of efficient
numerical methods for the approximate solution of the one-dimensional Schrödinger …

A new two-step hybrid method for the numerical solution of the Schrödinger equation

A Konguetsof - Journal of mathematical chemistry, 2010 - Springer
With this paper, a new algorithm is developed for the numerical solution of the one-
dimensional Schrödinger equation. The new method uses the minimum order of the phase …

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

A Konguetsof - Journal of mathematical chemistry, 2010 - Springer
In this paper we present a new method for the numerical solution of the time-independent
Schrödinger equation for one spatial dimension and related problems. A technique, based …