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Correlation Energy and Spin Polarization in the 2D Electron Gas

Claudio AttaccaliteINFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Università di Roma La Sapienza, Piazzale A. Moro 2, 00185 Rome, ItalySaverio MoroniINFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Università di Roma “La Sapienza,” Piazzale A. Moro 2, 00185 Rome, ItalyPaola Gori‐GiorgiINFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Università di Roma “La Sapienza,” Piazzale A. Moro 2, 00185 Rome, ItalyGiovanni B. BacheletINFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Università di Roma “La Sapienza,” Piazzale A. Moro 2, 00185 Rome, Italy
2002en
ABI

Аннотация

The ground-state energy of the two-dimensional uniform electron gas has been calculated with a fixed-node diffusion Monte Carlo method, including backflow correlations, for a wide range of electron densities as a function of spin polarization. We give a simple analytic representation of the correlation energy which fits our simulation data and includes several known high- and low-density limits. This parametrization provides a reliable local spin density energy functional for two-dimensional systems and an estimate for the spin susceptibility. Within the proposed model for the correlation energy, a weakly first-order polarization transition occurs shortly before Wigner crystallization as the density is lowered.

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