Exact analytical solutions to the Kratzer potential by the asymptotic iteration method
For any n and l values, we present a simple exact analytical solution of the radial
Schrödinger equation for the Kratzer potential within the framework of the asymptotic …
Schrödinger equation for the Kratzer potential within the framework of the asymptotic …
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 …
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 …
exponentially and trigonometrically fitted methods. One is based on the exact integration of …
[HTML][HTML] Multiderivative methods of eighth algebraic order with minimal phase-lag for the numerical solution of the radial Schrödinger equation
Multiderivative methods with minimal phase-lag are introduced in this paper, for the
numerical solution of the one-dimensional Schrödinger equation. The methods are called …
numerical solution of the one-dimensional Schrödinger equation. The methods are called …
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 …
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 …
dimensional Schrödinger equation. The new method uses the minimum order of the phase …
Neural network potential-energy surfaces for atomistic simulations
J Behler - Chemical Modelling: Applications and Theory, 2010 - books.google.com
Studying chemical reactions in computer simulations requires a reliable description of the
atomic interactions. While for systems of moderate size precise electronic structure …
atomic interactions. While for systems of moderate size precise electronic structure …
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 …
Schrödinger equation for one spatial dimension and related problems. A technique, based …
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 …
The investigation of the impact of the vanishing of the phase-lag and its first and second
derivatives on the efficiency of a four-step Runge–Kutta type method of sixth algebraic order …
derivatives on the efficiency of a four-step Runge–Kutta type method of sixth algebraic order …
A generator of families of two-step numerical methods with free parameters and minimal phase-lag
A Konguetsof - Journal of Mathematical Chemistry, 2017 - Springer
This research work is oriented in the behaviour of oscillating systems. In order to study such
problems, we deal with the solution of ordinary second order differential equations. A …
problems, we deal with the solution of ordinary second order differential equations. A …