The determination of molecular interaction forces, e.g., van der Waals force, between macroscopic bodies is of fundamental importance for understanding sintering, adhesion and fracture processes. In this paper, we develop an accurate, general procedure for van der Waals force calculation. This approach extends a surface formulation that converts a six-dimensional (6D) volume integral into a 4D ...

We demonstrate near-unity, broadband absorbing optoelectronic devices using sub-15 nm thick transition metal dichalcogenides (TMDCs) of molybdenum and tungsten as van der Waals semiconductor active layers. Specifically, we report that near-unity light absorption is possible in extremely thin (<15 nm) van der Waals semiconductor structures by coupling to strongly damped optical modes of semicond...

A time-dependent three-dimensional nonadiabatic computation study of the photodissociation of the van der Waals Na FH molecule was performed for total J 1⁄4 0. A very low probability of photo-reaction to produce NaF+H was observed from most initial conditions. Enhancement of the NaF+H product was observed for the isotopically substituted Na FD. The three-dimensional calculations are in qualitat...

We present a comprehensive benchmark study of the adsorption energy of a single water molecule on the (001) LiH surface using periodic coupled cluster and quantum Monte Carlo theories. We benchmark and compare different implementations of quantum chemical wave function based theories in order to verify the reliability of the predicted adsorption energies and the employed approximations. Further...

• Remarks and observations: (1) The tail of the van der Waals attractive potential (∝ r) extends to very long sep­ arations. Yet, its integral in eq.(V.39) is dominated by contributions from the short scales r0. In this limited context, the van der Waals potential is short-ranged, and results in corrections to the ideal gas behavior that are analytical in density n, leading to the virial series...

We have used laser ablation and helium buffer-gas cooling to produce titanium-helium van der Waals molecules at cryogenic temperatures. The molecules were detected through laser-induced fluorescence spectroscopy. Ground-state Ti(a^{3}F_{2})-He binding energies were determined for the ground and first rotationally excited states from studying equilibrium thermodynamic properties, and found to ag...

We present a new type of the Hamiltonian replica-exchange method, where the van der Waals radius parameter and not the temperature is exchanged. By decreasing the van der Waals radii, which control spatial sizes of atoms, this Hamiltonian replica-exchange method overcomes the steric restrictions and energy barriers. Furthermore, the simulation based on this method escapes from the local-minimum...

The gluon-exchange contribution to J/ψ-nucleon scattering is shown to yield a sizeable scattering length of about -0.25 fm, which is consistent with the sparse available data. Hadronic corrections to gluon exchange which are generated by ρπ and DD intermediate states of the J/ψ are shown to be negligible. We also propose a new method to study J/ψ-nucleon elastic scattering in the reaction π+d→ ...