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 …

Highly efficient, singularly P-stable, and low-cost phase-fitting two-step method of 14th order for problems in chemistry

CL Lin, TE Simos - Journal of Mathematical Chemistry, 2023 - Springer
The phase lag and its first derivative can all vanish when utilising a phase-fitting strategy.
Since the new method employs the highest possible algebraic order (AOR) while …

A phase-fitting, first and second derivatives phase-fitting singularly P-stable economical two-step method for problems in chemistry

B Sun, CL Lin, TE Simos - Journal of Mathematical Chemistry, 2022 - Springer
A phase-fitting, first and second derivatives phase-fitting method is produced. The new
algorithm is singularly P-Stable and belongs to the economic algorithms. The new method is …

A phase-fitting, first, second and third derivatives phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry

CL Lin, TE Simos - Journal of Mathematical Chemistry, 2022 - Springer
An approach to phase-fitting is devised, which includes methods for fitting the phase-lag and
for fitting its first, second, and third derivatives. Singularly P-Stable, the novel system belongs …

Solution to quantum chemistry problems using a phase-fitting, singularly P-stable, cost-effective two-step approach with disappearing phase-lag derivatives up to …

B Sun, CL Lin, TE Simos - Journal of Mathematical Chemistry, 2023 - Springer
The phase lag and its first, second, third, fourth, and fifth derivatives are all accounted for in a
phase-fitting method. The new system uses the fewest possible function evaluations per …

A phase-fitting singularly P-stable cost-effective two-step method for solving chemistry problems

CL Lin, TE Simos - Journal of Mathematical Chemistry, 2022 - Springer
Methods for fitting the phase-lag and its first, second, third, and fourth derivatives are
incorporated into a phase-fitting strategy. The novel system is singularly P-stable and is a …

Analysis of Spectral Hamiltonian Boundary Value Methods (SHBVMs) for the numerical solution of ODE problems

P Amodio, L Brugnano, F Iavernaro - Numerical Algorithms, 2020 - Springer
Recently, the numerical solution of stiffly/highly oscillatory Hamiltonian problems has been
attacked by using Hamiltonian boundary value methods (HBVMs) as spectral methods in …

A phase-fitting and first derivative phase-fitting singularly P-stable economical two-step method for problems in quantum chemistry

MA Medvedev, TE Simos - Journal of Mathematical Chemistry, 2022 - Springer
A phase-fitting and first derivative phase-fitting method is developed. The new scheme is
singularly P-Stable and belongs to the economic algorithms. The new method is symbolized …

Two-step, fourteenth-order, phase-fitting procedure with high efficiency and minimal cost for chemical problems

W Bao, CL Lin, B Sun, TE Simos - Journal of Mathematical Chemistry, 2023 - Springer
Using a phase-fitting method can get rid of the phase lag together with its first and second
derivatives. The new technique has been dubbed the economical method since it uses the …

High order closed Newton-Cotes exponentially and trigonometrically fitted formulae as multilayer symplectic integrators and their application to the radial Schrödinger …

TE Simos - Journal of Mathematical Chemistry, 2012 - Springer
In this paper we study the connection between:(i) closed Newton-Cotes formulae of high
order,(ii) trigonometrically-fitted and exponentially-fitted differential methods,(iii) symplectic …