Kohn–Sham density functional theory (KS-DFT) is nowadays the most widely used quantum
chemical method for electronic structure calculations in chemistry and physics. Its further …

In this article, recent developments in helium nanodroplet isolation HENDI spectroscopy are
reviewed, with an emphasis on the infrared region of the spectrum. We discuss how …

This paper describes program LEVEL, which can solve the radial or one-dimensional
Schrödinger equation and automatically locate either all of, or a selected number of, the …

The theory of intermolecular forces has advanced very greatly in recent years. It has become
possible to carry out accurate calculations of intermolecular forces for molecules of useful …

Starting from our earlier model [J. Chern. Phys. 66, 1496 (1977)] a simple expression is
derived for the radial dependent dam** functions for the individual dispersion coefficients …

Standard density functional approximations cannot accurately describe interactions between
nonoverlap** densities. A simple remedy consists in correcting for the missing interactions …

A simple method for computing accurate density-dependent dispersion coefficients is
presented. The dispersion coefficients are modeled by a generalized gradient-type …

While the attempts currently in progress in several groups for the rigorous inclusion of
dispersion interactions in density functional theory (DFT) calculations mature and evolve into …

Over the past 10 years, there have been major ad-vances in experimental methods for
observing van der Waals complexes, mostly by spectroscopic means. The resulting spectra …

A simple accurate potential of the HFD-B form, which appears to be the best characterization
of the He-He interaction constructed to date, is presented. It has been fitted to low …