相关论文: Rydberg-London Potential for Diatomic Molecules an…
The hybrid form is a combination of the Rydberg potential and the London inverse-sixth-power energy. It is accurate at all relevant distance scales and simple enough for use in all-atom simulations of biomolecules. One may compute the…
The van der Waals-London's law, for a collection of atoms at large separation, states that their interaction energy is pairwise attractive and decays proportionally to one over their distance to the sixth. The first rigorous result in this…
Repulsive short-range and attractive long-range van der Waals (vdW) forces have an appreciable role in the behavior of extended molecular systems. When using empirical force fields - the most popular computational methods applied to such…
We consider a multiatomic system where the nuclei are assumed to be point charges at fixed positions. Particles interact via Coulomb potential and electrons have pseudo-relativistic kinetic energy. We prove the van der Waals-London law,…
Three-parametric Lenard-Jones and Morse interatomic potentials are the simplest ones, which that can be used to obtain thermophysical properties of the liquid and solid substances. Upon adjusting the model parameters to real substance…
We introduce a computational method developed for study of long-range molecular Rydberg states of such systems that can be approximated by two electrons in a model potential of the atomic cores. Only diatomic molecules are considered. The…
We examine the dipole approximated Pauli-Fierz Hamiltonians of the nonrelativistic QED. We assume that the Coulomb potential of the nuclei together with the Coulomb interaction between the electrons can be approximated by harmonic…
In the current work we revisit the pair-potential recently proposed by Wang et al. (Phys. Chem. Chem. Phys. 10624, 22, 2020) as a well defined finite-range alternative to the widely used Lennard-Jones interaction model. The advantage of…
We have computed the widely neglected first-order interaction between neutral atoms. At interatomic separations typical of condensed media, it is nearly equal to the 1/r^6 second-order London energy inferred from interactions in gasses. Our…
The optimal conversion of a continuous inter-particle potential to a discrete equivalent is considered here. Existing and novel algorithms are evaluated to determine the best technique for creating accurate discrete forms using the minimum…
The retarded long-range potentials for hydrogen and alkali-metal atoms in their ground states and a perfectly conducting wall are calculated. The potentials are given over a wide range of atom-wall distances and the validity of the…
For diatomic molecules and chains bound anharmonically by interactions such a the Lennard Jones and Morse potentials, we obtain analytical expressions for thermodynamic observables including the mean bond length, thermally averaged internal…
We study the van der Waals-London force, which is typically associated with fluctuating dipoles in atoms, in a mesoscopic circuit consisting of two inductively coupled superconducting loops. We investigate the ``inductive" van der…
The standard model of classical Density Functional Theory for pair potentials consists of a hard-sphere functional plus a mean-field term accounting for long ranged attraction. However, most implementations using sophisticated Fundamental…
The ability to control and tune interactions in ultracold atomic gases has paved the way towards the realization of new phases of matter. Whereas experiments have so far achieved a high degree of control over short-ranged interactions, the…
We present a comprehensive study of the diverse properties of heteronuclear Rydberg molecules, placing a special emphasis on those composed of the light alkali atoms, Li, Na, and K. Electron-atom scattering phase shifts, which determine the…
A convenient scheme is presented for calculating potential energy of van der Waals interacting bilayer graphene and other similar 2D compounds. It is based on the notion of the existence of two types of local symmetry of carbon atoms…
We derive a general formula for the RG improved effective (Coleman-Weinberg) potential for classically conformal models, applying it to several examples of physical interest, and in particular a model of QCD coupled via quarks to a…
We study the emergence of many-body correlations in the stationary state of continuously-driven, strongly-interacting dissipative system. Specifically, we examine resonant optical excitations of Rydberg states of atoms interacting via…
Rydberg atoms and beams of ultracold polar molecules have become highly useful experimental tools in recent years. There is therefore a need for accessible calculations of interaction potentials between such particles and nearby surfaces…