Moments analysis of the dielectric function
ORAL
Abstract
For many purposes, the random-phase approximation (RPA) is an adequate approximation for dielectric screening when the latter is required within a calculation. Therefore, an efficient approximation to the RPA is similarly useful in a wide range of situations. In this talk, we will describe a model for the same based on knowledge of several approximate frequency moments of the irreducible polarizability function. These models rely, in part, on the Fourier transform of the two-point, one-electron density matrix. We test our model calculations against numerical density-function theory (DFT) calculations in isolated atoms, the homogeneous electron gas, and a wide variety of metals, semiconductors, and insulators.
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Presenters
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Eric Shirley
National Institute of Standards and Technology
Authors
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Eric Shirley
National Institute of Standards and Technology
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John Vinson
National Institute of Standards and Technology