相关论文: Equilibrium solvation in quadrupolar solvents
Due to solvation, excess charge carriers on 1d semiconductor nanostructures immersed in polar solvents undergo self-localization into polaronic states. Using a simplified theoretical model for small-diameter structures, we study…
This paper develops the equilibrium equations describing the flexoelectric effect in soft dielectrics under large deformations. Previous works have developed related theories using a flexoelectric coupling tensor of mixed material-spatial…
We modelled the aqueous solvation of a nonpolar solute as a function of the radius, temperature and pressure. In this study a simple two-dimensional Mercedes-Benz (MB) water model was used in NPT Monte Carlo simulations. This model has…
Plasticity in amorphous solids is mediated by localized quadrupolar instabilities, but the mechanism by which an amorphous solid eventually fails or melts is debated. In this work we argue that these phenomena can be investigated in the…
In the nonrelativistic many-electron approximation of the theory of photoionization of the atom in the formalism of secondary quantization and the theory of irreducible tensor operators, analytical structures for the quadrupole transition…
The solvation model proposed by Fattebert and Gygi [Journal of Computational Chemistry 23, 662 (2002)] and Scherlis et al. [Journal of Chemical Physics 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations…
Solvation effect might have a tremendous influence on chemical reactions. However, precise quantum chemistry calculations are most often done either in vacuum neglecting the role of the solvent or using continuum solvent model ignoring its…
We use a diquark model of the nucleon to calculate the electromagnetic form factors of the nucleon described as a scalar and axialvector diquark bound state. We provide an analysis of the zero-mode contribution in the diquark model. We find…
The scalar, vector, and tensor components of the (generalized) deuteron electric polarizability are calculated, as well as their logarithmic modifications. Several of these quantities arise in the treatment of the nuclear corrections to the…
We relax the usual diagonal constraint on the matrix representation of the eigenvalue wave equation by allowing it to be tridiagonal. This results in a larger solution space that incorporates an exact analytic solution for the non-central…
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…
Using Schwinger's quantum action principle, dispersion relations are obtained for neutral scalar mesons interacting with bi-local sources. These relations are used as the basis of a method for representing the effect of interactions in the…
We present a very brief description of the Hartree-Fock method in nuclear structure physics, discuss the numerical methods used to solve the self-consistent equations, and analyze the precision and convergence properties of solutions. As an…
Semiconductor Bloch equations, which microscopically describe the dynamics of a Coulomb interacting, spin-unpolarized electron-hole plasma, can be solved in two limits: the coherent and the quasi-equilibrium regime. These equations have…
Recent molecular dynamics simulations show that thermal gradients can induce electric fields in water that are comparable in magnitude to electric fields seen in ionic thin films and biomembranes. This surprising non-equilibrium phenomenon…
Small-angle scattering is a commonly used tool to analyze the dispersion of nanoparticles in all kinds of matrices. Besides some obvious cases, the associated structure factor is often complex and cannot be reduced to a simple interparticle…
Classical and quantum field theory of dipolar, axisymmetric quadrupolar and octupolar Bose gases is considered within a general approach. Dipole, axisymmetric quadrupole and octupole interaction potentials in the momentum representation are…
The equation which describes a particle diffusing in a logarithmic potential arises in diverse physical problems such as momentum diffusion of atoms in optical traps, condensation processes, and denaturation of DNA molecules. A detailed…
Collective effects in deformed atomic nuclei present possible avenues of study on the non-spherical distribution of neutrons and the violation of the local Lorentz invariance. We introduce the weak quadrupole moment of nuclei, related to…
A multiple-image method is developed to accurately calculate the electrostatic interaction between neutral dielectric particles and a uniformly charged dielectric substrate. The difference in dielectric constants between the particle and…