Comparison of the stabilized jellium model and the model with fixed point ions

A numerical analysis of the electron density and the electrostatic potential distribution in spherically symmetric bubbles of ionized hydrogen of nanometer size was made using density functional theory (DFT). Two models are considered: the stabilized jellium model, which allows to carry out one-dimensional computations for the spherically symmetric case, and the model with fixed point ions, where calculations are carried out in 3D geometry. For calculation in the point ions model Octopus and CP2K codes were used. One-dimensional computations in the jellium model require much less computational resources that allows to carry out calculations for systems with large number of electrons (about 10⁵). A conclusion about applicability of the stabilized jellium model for calculations of such systems. These calculations would be useful for studying inhomogeneities of the electric field, which affect ion motion during rapid compression of gas bubbles. (paper)