[PDF][PDF] On the explicit four-step methods with vanished phase-lag and its first derivative

TE Simos - Applied Mathematics & Information Sciences, 2014 - naturalspublishing.com
In the present paper, we will investigate a family of explicit four-step methods first introduced
by Anastassi and Simos [1] for the case of vanishing of phase-lag and its first derivative …

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

GA Panopoulos, TE Simos - Journal of Computational and Applied …, 2015 - Elsevier
Our new linear symmetric semi-embedded predictor–corrector method (SEPCM) presented
here is based on the multistep symmetric method of Quinlan and Tremaine (1990), with eight …

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 …

Z Zhou, TE Simos - Journal of Mathematical Chemistry, 2016 - Springer
A two stage symmetric two-step method with vanished phase-lag and its first, second, third
and fourth derivatives with low computational cost is developed in this paper for the first time …

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 …

K Mu, TE Simos - Journal of Mathematical Chemistry, 2015 - Springer
A Runge–Kutta type (four stages) eighth algebraic order two-step method with phase-lag
and its first, second, third and fourth derivatives equal to zero is produced in this paper. We …

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

F Hui, TE Simos - Journal of Mathematical Chemistry, 2015 - Springer
A family of two stage low computational cost symmetric two-step methods with vanished
phase-lag and its derivatives is developed in this paper. More specifically we produce: a two …

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

Z Wang, TE Simos - Journal of Mathematical Chemistry, 2017 - Springer
In this paper we introduce, for the first time in the literature, a three-stages two-step method.
The new algorithm has the following characteristics:(1) it is a two-step algorithm,(2) it is a …

A finite difference pair with improved phase and stability properties

K Yan, TE Simos - Journal of Mathematical Chemistry, 2018 - Springer
A new finite difference pair is produced in this paper, for the first time in the literature. The
characteristics of the new finite diffence pair are:(1) is of symmetric two-step,(2) is four …

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 …

H Ning, TE Simos - Journal of Mathematical Chemistry, 2015 - Springer
A low computational cost eighth algebraic order hybrid two-step method with vanished
phase-lag and its first, second, third and fourth derivatives is developed in this paper. We …

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 …

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 …