Determination of effective pair interactions from the structure factor
Determination of effective pair interactions from the structure factor is a scholarly work by Noé García Almarza and Enrique Lomba, published in 2004 in ''Physical Review E''. The main subjects of the publication include molecular dynamics simulation, Monte Carlo method, pair distribution function, inverse, computational chemistry, Pair potential, statistical physics, density functional theory, radial distribution function, Fourier transform, structure factor, physics, and thermochemistry. The authors present an efficient procedure to evaluate effective pair potentials, compatible with "experimental" structure factors, using a Monte Carlo simulation scheme.