We summarize the theory of van der Waals (dispersion) forces, with emphasis on recent
microscopic approaches that permit the prediction of forces between solids and …

During the last decade, six new superheavy elements were added into the seventh period of
the periodic table, with the approval of their names and symbols. This milestone was …

is implemented for calculations in solids using the pseudopotentials/plane-waves approach.
The resulting functional retains the simplicity and efficiency of semilocal functionals while …

Recent advances regarding the interplay between ab initio calculations and metrology are
reviewed, with particular emphasis on gas-based techniques used for temperature and …

The simplest way to predict London dispersion energies involving complex multiatom
objects is to add separate contributions from each pair of atoms. Semiempirical, and even …

A broad range of approaches to many-body dispersion are discussed, including empirical
approaches with multiple fitted parameters, augmented density functional-based …

Analytical formulas are derived for the zero-point vibrational energy and anharmonicity
corrections of the cohesive energy and the mode Grüneisen parameter within the Einstein …

The cohesive energies of argon in its cubic and hexagonal closed packed structures are
computed with an unprecedented accuracy of about 5 J mol− 1 (corresponding to 0.05% of …

Complete basis set limit calculations are carried out for the fcc lattices of solid neon and
argon, using second-to fourth-order Møller-Plesset theory, MP2–MP4, and coupled-cluster …

The role of interatomic interactions on the solid–liquid and vapor–liquid equilibria of neon is
investigated via molecular simulation using a combination of two-body ab initio, three-body …