By carrying out extensive lattice regularized diffusion Monte Carlo calculations, we study the spin and density dependence of the ground-state energy for a quasi-one-dimensional electron gas, with harmonic transverse confinement and long-range 1/r interactions. We present a parametrization of the exchange–correlation energy suitable for spin density functional calculations, which fulfils exact low and high density limits.
Spin resolved energy parametrization of a quasi-one-dimensional electron gas
SENATORE, GAETANO;
2009-01-01
Abstract
By carrying out extensive lattice regularized diffusion Monte Carlo calculations, we study the spin and density dependence of the ground-state energy for a quasi-one-dimensional electron gas, with harmonic transverse confinement and long-range 1/r interactions. We present a parametrization of the exchange–correlation energy suitable for spin density functional calculations, which fulfils exact low and high density limits.File in questo prodotto:
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