Electrostatic pair-potentials based on the Poisson equation
نویسندگان
چکیده
منابع مشابه
On the Burgers-poisson Equation
In this paper, we prove the existence and uniqueness of weak entropy solutions to the Burgers-Poisson equation for initial data in L(R). Additional an Oleinik type estimate is established and some criteria on local smoothness and wave breaking for weak entropy solutions are provided.
متن کاملComputation of Electrostatic Forces on Solvated Molecules Using the Poisson-Boltzmann Equation
Numerical solutions of the Poisson-Boltzmann equation (PBE) have found wide application in the computation of electrostatic energies of hydrated molecules, including biological macromolecules. However, solving the PBE for electrostatic forces has proved more difficult, largely because of the challenge of computing the pressures exerted by a high dielectric aqueous solvent on the solute surface....
متن کاملOn the Poisson Equation for Singular Diffusions
Pardoux and Veretennikov [2001, Ann. Probab. 29, 1061-1085] establish existence (in the Sobolev sense) and uniqueness of solutions of a Poisson equation for the differential operator of an ergodic diffusion in <D, for which the covariance term is strictly non-degenerate and uniformly bounded. Our goal is to establish a similar solvability result, but for the complementary case of singular diffu...
متن کاملOn the Poisson Equation and Diffusion Approximation
A Poisson equation in d for the elliptic operator corresponding to an ergodic diffusion process is considered. Existence and uniqueness of its solution in Sobolev classes of functions is established along with the bounds for its growth. This result is used to study a diffusion approximation for two-scaled diffusion processes using the method of corrector; the solution of a Poisson equation serv...
متن کاملMinimization of Electrostatic Free Energy and the Poisson-Boltzmann Equation for Molecular Solvation with Implicit Solvent
In an implicit-solvent description of the solvation of charged molecules (solutes), the electrostatic free energy is a functional of concentrations of ions in the solvent. The charge density is determined by such concentrations together with the point charges of the solute atoms, and the electrostatic potential is determined by the Poisson equation with a variable dielectric coefficient. Such a...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: New Journal of Physics
سال: 2019
ISSN: 1367-2630
DOI: 10.1088/1367-2630/ab1ec1