The past decade has seen explosive growth in experimental and theoretical studies of van
der Waals interactions. Considerable progress has been achieved toward understanding …

We make use of the Quantum Theory of Atoms in Molecules (QTAM) to partition the total
energy of a many-electron system into intra-and interatomic terms, by explicitly computing …

During the past decade dramatic progress has been made in calculating the binding
energies of molecules. This is the result of two advances reported in 1989: an accurate …

The adiabatic, relativistic, and quantum electrodynamics (QED) contributions to the pair
potential of helium were computed, fitted separately, and applied, together with the …

In recent literature, some authors claim to have successfully applied density functional
theory (DFT) methods to the attractive interaction between rare-gas atoms. In this note, we …

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

Characteristics of the heavy rare gas dimers (Ar 2, Kr 2, Xe 2) have been studied by
correlated ab initio calculations. All-electron CCSD (T) calculations were performed for Ar …

Recent quantum mechanical calculations of the interaction energy of pairs of helium atoms
are accurate and some include reliable estimates of their uncertainty. We combined these …

Symmetry-adapted perturbation theory (SAPT) was applied to the helium dimer for
interatomic separations R from 3 to 12 bohrs⁠. The first-order interaction energy and the …

A nonempirical quantum mechanical method for the efficient and accurate quantification and
analysis of intermolecular interactions is presented and tested on existing benchmark sets …