相关论文: Beyond Born-Mayer: Improved models for short-range…
Rigorous bounds on the rate of energy exchanges between vibrational and translational degrees of freedom are established in simple classical models of diatomic molecules. The results are in agreement with an elementary approximation…
A double hybrid approximation using the Coulomb-attenuating method (CAM-DH) is derived within range-separated density-functional perturbation theory, in the spirit of a recent work by Cornaton {\it et al.} [Phys. Rev. A 88, 022516 (2013)].…
Strong short ranged positional correlations involving counterions can induce a net attractive force between negatively charged strands of DNA, and lead to the formation of ion pairs in dilute ionic solutions. But the long range of the…
Energy-based fragmentation methods approximate the potential energy of a molecular system as a sum of contribution terms built from the energies of particular subsystems. Some such methods reduce to truncations of the many-body expansion…
Long-range exchange and correlation effects, responsible for the failure of currently used approximate density functionals in describing van der Waals forces, are taken into account explicitly after a separation of the electron-electron…
The interaction of lasers with plasmas very often leads to nonlocal transport conditions, where the classical hydrodynamic model fails to describe important microscopic physics related to highly mobile particles. In this study we analyze…
A novel description of kinetic theory dynamics is proposed in terms of resummed moments that embed information of both hydrodynamic and non-hydrodynamic modes. The resulting expansion can be used to extend hydrodynamics to higher orders in…
A fourth-order Schr\"{o}dinger equation for the description of charge transport in semiconductors in the ballistic regime is proposed with the inclusion of non-parabolic effects in the dispersion relation in order to go beyond the simple…
The effective interaction energy of a colloidal sphere in a suspension containing small amounts of non-ionic polymers and a flat glass surface has been measured and calculated using total internal reflection microscopy (TIRM) and a novel…
The quantum dynamics of two distant H atoms excited by ultrashort and spatially shaped laser pulses is studied by the numerical solution of the non-Born-Oppenheimer time-dependent Schr\"odinger equation within a three-dimensional (3D)…
We examine SERS from two perspectives: as a phenomenon described by the Laplace Equation (the electrostatic or Rayleigh limit) and by the Helmholtz Equation (electrodynamic or Mie limit). We formulate the problem in terms of the scalar…
Approximate scattering functions for polydisperse ionic colloidal fluids are obtained by a corresponding states approach. This assumes that all pair correlation functions $g_{\alpha \beta}(r)$ of a polydisperse fluid are conformal to those…
The pseudopotential method is one of the most popular extensions of the lattice Boltzmann method (LBM) for phase change and multiphase flow simulation. One attractive feature of the original proposed method consists on its simplicity of…
When a laser passes through underdense plasmas, Raman and Brillouin Backscattering can reflect a substantial portion of the incident laser energy. This is a major loss mechanism, for example, in employing lasers in inertial confinement…
Inspired by recent experimental observations of anomalously large decay lengths in concentrated electrolytes, we revisit the Restricted Primitive Model (RPM) for an aqueous electrolyte. We investigate the asymptotic decay lengths of the…
We construct a new phase-field model for the solvation of charged molecules with a variational implicit solvent. Our phase-field free-energy functional includes the surface energy, solute-solvent van der Waals dispersion energy, and…
We present an exact field theoretical representation of an ionic solution made of charged hard spheres. The action of the field theory is obtained by performing a Hubbard-Stratonovich transform of the configurational Boltzmann factor. It is…
We investigate the solvent mediated interactions between nanoparticles adsorbed at a liquid-vapor interface in comparison to the solvent mediated interactions in the bulk liquid and vapor phases of a Lennard-Jones solvent. Molecular…
In this paper a spectral-Lagrangian method for the Boltzmann equation for a multi-energy level gas is proposed. Internal energy levels are treated as separate species and inelastic collisions (leading to internal energy excitation and…
Resonances are of particular importance to the scattering of composite particles in quantum mechanics. We build an effective field theory for two-body scattering which includes a low-energy $S$-wave resonance. Our starting point is the most…