18 citations
2 papers
cond-mat.stat-mech2005★ 18 cited
Monte Carlo algorithms for charged lattice gases
L. Levrel, A. C. Maggs
We consider Monte Carlo algorithms for the simulation of charged lattice gases with purely local dynamics. We study the mobility of particles as a function of temperature and show…
physics.chem-ph2003
Least-squares fitting approach using energy, gradient and Hessian data to obtain an accurate quartic force field : Application to H2O and H2CO
Philippe Carbonniere, Didier Begue, Alain Dargelos +1
In this work we present an attractive least-squares fitting procedure to obtain a quartic force field by using energy, gradient and Hessian data arising from electronic wave functi…