274732 A Fermi-Liquid Theory for Electron Energy and Correlations

Thursday, November 1, 2012: 2:30 PM
415 (Convention Center )
Shuangliang Zhao, UC Riverside, Riverside, CA and Jianzhong Wu, Chemical and Environmental Engineering, UC Riverside, Riverside, CA

Electron correlation plays an important role not only in calculating the structural and energetic properties of inhomogeneous electrons but also in extension of the electronic density functional theory to multi-component thermodynamic systems. In this work, we propose a self-consistent classical mapping method for predicting electron correlation functions in bulk Fermi liquids. The new method combines the Ornstein-Zernike equation for the total and direct correlation functions and the universality ansatz of the bridge functional for the closure. First, an effective Pauli potential is invoked to account for the Pauli exclusion effect, which is evaluated from the exact radial distribution functions of an idea electron gas at the same temperature. The electron correlation functions in an interacting Fermi system are then obtained by solving the integral equations with an analytical bridge functional derived from the modified fundamental measurement theory. The excellent agreement of the calculated electron correlations and resultant thermodynamic properties with quantum Monte Carlo simulation results at various densities and temperatures demonstrates the numerical precision and computational efficiency of the proposed protocol.

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