Search

This Special Issue of the Journal of Chemical Physics is dedicated to the work and life of John P. Perdew. A short bio is available within the issue [J. P. Perdew, J. Chem. Phys. 160, 010402 (2024)]. Here, we briefly summarize key publications in density functional theory by Perdew and his collaborators, followed by a structured guide to the papers contributed to this Special Issue. [ABSTRACT FROM AUTHOR]

Colloidal crystals of rhodamine labeled silica spheres dispersed in chloroform have been studied with fluorescence confocal scanning laser microscopy. We report the first determination of the three-dimensional crystalline stacking in the bulk of a concentrated dispersion. The structure was found to consist of a random stacking of close-packed planes. The results are compared with light scattering experiments. © 1995 American Institute of Physics. [ABSTRACT FROM AUTHOR]

In the Gibbs ensemble gas–liquid phase coexistence can be studied by obtaining the density distribution function in a finite system from the study of two subsystems exchanging particles. The temperature dependence of the peak of this distribution function is studied near the critical point, and Monte Carlo simulations for the simple special case of the two-dimensional lattice gas model are presented. This case is a ‘‘restricted Gibbs ensemble’’ where the particle numbers of the two systems fluctuate but their volume fluctuations are suppressed. From formal analysis and physical arguments, we predict that the density difference of the peak positions vanishes according to a classical power law [1-T/Tc(L)]1/2, where Tc(L) is a shifted critical temperature of the finite system of linear dimension L, for temperatures within a regime where fluctuations are significant (L does not exceed the correlation length ξ there). This behavior is verified by Monte Carlo simulations for L×L lattices with periodic boundary conditions and L in the range from 4≤L≤20. It is also shown that Tc(L) approaches the critical point of the infinite system from above, according to a law Tc(L)-Tc(∞)∼L-1/ν, ν being the correlation length exponent, as expected. Our discussion also applies to the standard grand canonical ensemble of the lattice gas or the equivalent canonical ensemble of an Ising magnet, respectively. Some Monte Carlo results for this ensemble are also presented. They are consistent with the theoretical predictions. [ABSTRACT FROM AUTHOR]