4 papers
Theoretical ab initio Evolution of Satellite Intensity near Threshold for Cu K-shell transitions
Daniel Pinheiro, Gonçalo Baptista, César Godinho +9
In this work, we have investigated the evolution of satellite intensity near the ionization threshold for Cu K-shell transitions through theoretical methods. Employing standard sta…
Nested Sampling for Exploring Lennard-Jones Clusters
Lune Maillard, Fabio Finocchi, César Godinho +1
Lennard-Jones clusters, while an easy system, have a significant number of non equivalent configurations that increases rapidly with the number of atoms in the cluster. Here, we ai…
Probing the partition function for temperature-dependent potentials with nested sampling
Lune Maillard, Philippe Depondt, Fabio Finocchi +4
Thermodynamic properties can be in principle derived from the partition function, which, in many-atom systems, is hard to evaluate as it involves a sum on the accessible microscopi…
A simple tool for weighted averaging of inconsistent data sets
Martino Trassinelli, Marleen Maxton
The weighted average of inconsistent data is a common and tedious problem that many scientists have encountered. The standard weighted average is not recommended for these cases, a…