Abstract
At present one of the basic methods for investigating properties of semirestricted systems is the density-functional theory (DFT) [1,2], which is inherently a one-particle approach. Nevertheless modifications are possible (LDA, GGA and others). Therefore it is impossible to correctly allow for collective phenomena in the DFT (i. e., lack of image forces, weak coupling and so on) [3,4]. The first attempt to construct the many-body theory of inhomogeneous electron gas was the paper [5], where the set of five equations (GWA-approximation) was formulated. Conjunction of GWA approach with DFT by way of taking into account many-body effects for correcting the DFT imperfections was considered in [6]. However, this approach calls for numerous uncontrolled simplifications at carrying out numerical calculations that appear in the absence of oscillations of effective pair electron interaction potential. The authors developed the approach for calculating Gibbs potential and distribution functions of inhomogeneous electron gas using the method of functional integration presented in the works [7–9]. These characteristics are represented as expansions by effective potential of electronelectron interaction that takes into account both availability of image forces and collective effects (screening). This paper investigates an effective potential of electron-electron interaction and a two-particle correlator “density-density”. Approximations are proposed for finding the correlator “density-density” and the effective potential of electron-electron interaction in analytical form as well as determinating their asymptotics. Robastness of these approximations is studied by comparison with results of numerical calculations.
Highlights
At present one of the basic methods for investigating properties of semirestricted systems is the density-functional theory (DFT) [1,2], which is inherently a one-particle approach
Conjunction of GWA approach with DFT by way of taking into account many-body effects for correcting the DFT imperfections was considered in [6]. This approach calls for numerous uncontrolled simplifications at carrying out numerical calculations that appear in the absence of oscillations of effective pair electron interaction potential
The authors developed the approach for calculating Gibbs potential and distribution functions of inhomogeneous electron gas using the method of functional integration presented in the works [7,8,9]. These characteristics are represented as expansions by effective potential of electronelectron interaction that takes into account both availability of image forces and collective effects
Summary
At present one of the basic methods for investigating properties of semirestricted systems is the density-functional theory (DFT) [1,2], which is inherently a one-particle approach. Conjunction of GWA approach with DFT by way of taking into account many-body effects for correcting the DFT imperfections was considered in [6] This approach calls for numerous uncontrolled simplifications at carrying out numerical calculations that appear in the absence of oscillations of effective pair electron interaction potential. The authors developed the approach for calculating Gibbs potential and distribution functions of inhomogeneous electron gas using the method of functional integration presented in the works [7,8,9]. These characteristics are represented as expansions by effective potential of electronelectron interaction that takes into account both availability of image forces and collective effects (screening). Robastness of these approximations is studied by comparison with results of numerical calculations
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