Related papers: Gaussian-Charge Polarizable Interaction Potential …
Point polarizable molecules at fixed spatial positions have solvable electrostatic properties in classical approximation, the most familiar being the Clausius-Mossotti (CM) formula. This paper generalizes the model and imagines various…
We propose a fully ab initio theory to compute the electron density response under the perturbation in the local field. This method is based on our recently developed local dielectric response theory [Phys. Rev. B 92, 241107(R), 2015],…
We study quasi-two-dimensional dipolar Bose-Einstein condensates, in which the Bogoliubov excitation spectrum displays, at sufficiently large gas density, a deep roton minimum due to the spatially anisotropic behavior of the dipolar…
We describe an empirical, self-consistent, orthogonal tight-binding model for zirconia, which allows for the polarizability of the anions at dipole and quadrupole levels and for crystal field splitting of the cation d orbitals. This is…
New polarization potentials have been determined based on: 1) the latest photo-neutron cross section evaluation and a missing factor of two in previous work, and 2) the mass dependency of the symmetry energy, $a_{sym}(A)$. The magnitude of…
The diquark model is used to calculate the electromagnetic polarizabilities and charge radii of the nucleons for three different potentials. Making the scalar diquark lower in mass introduces a mixing angle $\theta $ between the $\left|…
Chemical segregation and structural transitions at interfaces are important nanoscale phenomena, making them natural targets for atomistic modeling, yet interatomic potentials must be fit to secondary physical properties. To isolate the…
The electrostatic interaction between an excited atom and a diatomic ground state molecule in an arbitrary rovibrational level at large mutual separations is investigated with a general second-order perturbation theory, in the perspective…
We use a derivative expansion for gently curved surfaces to compute the leading and the next-to-leading curvature corrections to the Casimir-Polder interaction between a polarizable small particle and a non-planar surface. While our methods…
Computer simulation studies of aqueous solutions of argon are performed from ambient to supercritical conditions by using a recent polarizable potential model (BSV) and the non polarizable simple point charge extended (SPC/E) model. At…
Apropos to the growing interest in the study of long-range interactions which for their applications in cold atom physics, we have performed theoretical calculation for the two-dipole $C_6$ and three-dipole $C_9$ dispersion coefficients…
In this paper is calculated and analyzed the dielectric behavior of carbon dioxide - methanol mixture and evaluate how the correct reproduction of the electrical properties of this molecules influences in the mixture of these two…
The thermal stability of C60 dimers and 2D pressure-polymerized C60 is studied using high-resolution capacitance dilatometry. The transformation of both the dimer and the polymer phases back to 'normal' C60 is excellently described by a…
The strengths and short-comings of the point-dipole model for polar fluids of spherical molecules are illustrated by considering the physically more relevant case of extended dipoles formed by two opposite charges $\pm q$ separated by a…
The limited availability of accurate experimental data in wide ranges of pressure, temperature, and composition is the main constraining factor for the proper development and assessment of thermodynamic models and equations of state. In the…
The temperature dependence of the Casimir-Polder interaction addresses fundamental issues for understanding vacuum and thermal fluctuations. It is highly sensitive to surface waves which, in the near field, govern the thermal emission of a…
We use molecular dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon…
Polarization correlation coefficients have been measured atRIKEN for the \vec 3He(\vec d,p)4He reaction at intermediate energies. We propose a model for the (\vec d, p) reaction mechanism using the pd elastic scattering amplitude which is…
Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…
The damping coefficients for the alkali atoms are determined very accurately by taking into account the optical properties of the atoms and three distinct types of trapping materials such as Au (metal), Si (semi-conductor) and vitreous SiO2…