Optics and interferometry with atoms and molecules

AD Cronin, J Schmiedmayer, DE Pritchard - Reviews of Modern Physics, 2009 - APS
Interference with atomic and molecular matter waves is a rich branch of atomic physics and
quantum optics. It started with atom diffraction from crystal surfaces and the separated …

Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories

KE Riley, M Pitonák, P Jurecka, P Hobza - Chemical Reviews, 2010 - ACS Publications
More than 20 years ago, we published in Chemical ReViews a paper entitled
“Intermolecular Interactions between Medium-Sized Systems. Nonempirical and Empirical …

An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients

KT Tang, JP Toennies - The Journal of chemical physics, 1984 - pubs.aip.org
Starting from our earlier model [J. Chern. Phys. 66, 1496 (1977)] a simple expression is
derived for the radial dependent damping functions for the individual dispersion coefficients …

The solid molecular hydrogens in the condensed phase: Fundamentals and static properties

IF Silvera - Reviews of Modern Physics, 1980 - APS
The molecular hydrogens (H 2, D 2, HD, etc.) form the simplest of all molecular solids. The
combination of the light mass, small moment of inertia, weak interactions, and the quasi …

Benchmark databases for nonbonded interactions and their use to test density functional theory

Y Zhao, DG Truhlar - Journal of Chemical Theory and …, 2005 - ACS Publications
We present four benchmark databases of binding energies for nonbonded complexes. Four
types of nonbonded interactions are considered: hydrogen bonding, charge transfer, dipole …

The isotropic intermolecular potential for H2 and D2 in the solid and gas phases

IF Silvera, VV Goldman - The Journal of Chemical Physics, 1978 - pubs.aip.org
A semiempirical pair potential for molecular hydrogen and deuterium has been derived by
fitting to solid state data. The potential is bounded to conform asymptotically to short‐and …

Towards extending the applicability of density functional theory to weakly bound systems

X Wu, MC Vargas, S Nayak, V Lotrich… - The Journal of Chemical …, 2001 - pubs.aip.org
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 …

Theoretical studies of van der Waals molecules and intermolecular forces

AD Buckingham, PW Fowler, JM Hutson - Chemical Reviews, 1988 - ACS Publications
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 …

Density functionals for noncovalent interaction energies of biological importance

Y Zhao, DG Truhlar - Journal of Chemical Theory and …, 2007 - ACS Publications
Forty density functionals and one wavefunction method are assessed against a recently
published database of accurate noncovalent interaction energies of biological importance …

Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules

DW Schwenke, DG Truhlar - The Journal of chemical physics, 1985 - pubs.aip.org
We have calculated the interaction energy of two HF molecules at the single‐configuration
Hartree–Fock level using 34 different basis sets in an effort to assess the reliability and …