The three dimensional reference interaction site model integral equation theory (3D­RISM) combined with the ab initio molecular orbital method (3D­RISM­ SCF) is applied to a solvated macro molecular system. The solvation structure around a solute molecule is obtained from the 3D­RISM integral equation under the electrostatic potential of the solute molecule, calculated by the ab initio molecula...

Abstract: A theory is derived for plasmons in two-dimensional (2D) materials by using three-dimensional (3D) plasmon theory, which was reported previously in the random phase approximation under high frequency conditions. When the 3D local electron density is expressed by the 2D local electron density n2D multiplied by the delta function in the thickness direction, a self-consistent integral eq...

In this paper the Feynman path-integral technique is applied for superintegrable potentials on two-dimensional spaces of nonconstant curvature: these spaces are Darboux spaces DI and DII, respectively. On DI there are three and on DII four such potentials, respectively. We are able to evaluate the path integral in the most of the separating coordinate systems, leading to expressions for the Gre...

We propose a rigorous full-vector integral-equation formulation for analyzing modal characteristics of the complex, two-dimensional, rectangular-like dielectric waveguide that is divisible into vertical slices of one-dimensional layered structures. The entire electromagnetic mode field is completely determined by the y-component electric and magnetic field functions on the interfaces between sl...

In this work, we explore the ability of an inhomogeneous integral equation approach to provide a full three dimensional description of simple fluids under conditions of confinement in porous media. Explicitly, we will consider the case of argon adsorbed into silicalite-1, silicalite-2, and an all-silica analogue of faujasite, with a porous structure composed of linear (and zig-zag in the case o...

‎in this study‎, ‎properties of spectral characteristic are investigated for‎ ‎singular sturm-liouville operators in the case where an eigen‎ ‎parameter not only appears in the differential equation but is‎ ‎also linearly contained in the jump conditions‎. ‎also weyl function‎ ‎for considering operator has been defined and the theorems which‎ ‎related to uniqueness of solution of inverse proble...

Method. G. H. Rawitscher, I. Koltracht and R. A. Gonzales Physics and Mathematics Departments, University of Connecticut, Storrs, CT 06268, USA A new spectral type method for solving the one dimensional quantummechanical Lippmann-Schwinger integral equation in configuration space is described. The radial interval is divided into partitions, not necessarily of equal length. Two independent local...

this paper presents a comparison between variational iteration method (vim) and modfied variational iteration method (mvim) for approximate solution a system of volterra integral equation of the first kind. we convert a system of volterra integral equations to a system of volterra integro-di®erential equations that use vim and mvim to approximate solution of this system and hence obtain an appr...