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Showing 1 to 5 of 5 for “"random-phase approximation (RPA)"”.
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Developing force field parameters for water interacting with graphene and graphene-like materials
… water and surface, which are used to validate random phase approximation (RPA) calculations. We then proceed with RPA to derive force field parameters, which are used to simulate properties like water contact angle on the surface, attaining a value within the experimental uncertainties. This …
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Screening and the effective fine structure constant in graphene
… results to calculated response functions in the random phase approximation (RPA) with and without interlayer hopping terms, and determine that interlayer hopping alone cannot be responsible for the observed deviations away from the RPA, due to a combination of both electron-hole interactions …
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The influence of coulomb potential fluctuation on c-axis tunneling in cuprates
… uctuation is calculated theoretically in the random-phase approximation (RPA) and in the Landau-Fermi liquid theory. The extensions of the calculation to include the Coulomb interaction between CuO2 planes are done in this thesis to get a better description of c-axis transport for …
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Exchange-Correlation Kernels Within Time-Dependent Density Functional Theory For Ground-State and Excited-State Properties
… as the paradigm uniform electron gas (UEG). The random phase approximation (RPA) neglects the kernel, therefore, fails to provide the accurate ground- and excited-state properties for various systems from a simple uniform electron gas to more complex periodic ones. There are numerous corrections …
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Angle-Resolved Photoelectron Spectroscopy Studies of the Many-Body Effects in the Electronic Structure of High-Tc Cuprates
… data within an itinerant model based on the random phase approximation (RPA). The results are compared with the experimental INS data on BSCCO and YBCO. The calculation is based on numerical models for the normal and anomalous Green’s functions fitted to the experimental single-particle …