Search results for "Van der Waals strain"
showing 5 items of 5 documents
Dipole Moment Surface of the van der Waals Complex CH4–N2
2010
The interaction-induced dipole moment surface of the van der Waals CH(4)-N(2) complex has been calculated for a broad range of intermolecular separations R and configurations in the approximation of the rigid interacting molecules at the MP2 and CCSD(T) levels of theory using the correlation-consistent aug-cc-pVTZ basis set with the basis set superposition error correction. The simple model to account for the exchange effects in the range of small overlap of the electron shells of interacting molecules and the induction and dispersion interactions for large R has been suggested. This model allows describing the dipole moment of van der Waals complexes in analytical form both for large R, wh…
van der Waals interactions between excited atoms in generic environments
2015
We consider the the van der Waals force involving excited atoms in general environments, constituted by magnetodielectric bodies. We develop a dynamical approach studying the dynamics of the atoms and the field, mutually coupled. When only one atom is excited, our dynamical theory suggests that for large distances the van der Waals force acting on the ground-state atom is monotonic, while the force acting in the excited atom is spatially oscillating. We show how this latter force can be related to the known oscillating Casimir--Polder force on an excited atom near a (ground-state) body. Our force also reveals a population-induced dynamics: for times much larger that the atomic lifetime the …
Van der Waals Interactions in a Magneto-Dielectric Medium
2007
The van der Waals interaction between two ground-state atoms is calculated for two electrically or magnetically polarizable particles embedded in a dispersive magneto-dielectric medium. Unlike previous calculations which infer the atom-atom interaction from the dilute-medium limit of the macroscopic, many-body van der Waals interaction, the interaction is calculated directly for the system of two atoms in a magneto-dielectric medium. Two approaches are presented, the first based on the quantized electromagnetic field in a dispersive medium without absorption and the second on Green functions that allow for absorption. We show that the correct van der Waals interactions are obtained regardle…
Entrapment of charged, nonwetting colloids near oil-water interfaces.
2007
Charged, nonwetting colloids with a contact angle $\ensuremath{\theta}=180\ifmmode^\circ\else\textdegree\fi{}$ are attracted to an oil-water interface due to image charge forces. Near the interface, the attractive image charge forces are balanced by repulsive van der Waals forces, and thus the colloids are trapped at a finite distance from the interface. Electrostatic and van der Waals pressure lead to a deformation of the interface in the equilibrium state. For parameters relevant to experiment, however, the effects of the deformed interface are negligible and thus the mutual interactions of such interfacially trapped colloids should be well characterized by electrostatic dipole repulsions.
1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts?
2008
Isochoric and isobaric freezing of 1,1-dichloroethane, CH3CHCl2, mp = 176.19 K, yielded the orthorhombic structure, space group Pnma, with the fully ordered molecules, in the staggered conformation, located on mirror planes. The CH3CHCl2 ambient-pressure (0.1 MPa) structures were determined at 160 and 100 K, whereas the 295 K high-pressure structures were determined at 0.59 and 1.51 GPa. At 0.1 MPa, all intermolecular distances are considerably longer than the sums of the van der Waals radii, and only a pressure of about 1.5 GPa squeezed the Cl···Cl and Cl···H contacts to distances commensurate with these sums. The exceptionally large difference between the melting points of isomeric 1,1- a…