Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations
Variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrowbackflow trial wave functions are used to study the spin-polarized three-dimensional uniform electron fluid. We report ground state VMC and DMC energies in the density range 0.5 ≤ rs ≤ 20. Finite-size errors are c...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
American Physical Society
2023
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| Summary: | Variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrowbackflow trial wave functions are used to study the spin-polarized three-dimensional uniform electron
fluid. We report ground state VMC and DMC energies in the density range 0.5 ≤ rs ≤ 20. Finite-size
errors are corrected using canonical-ensemble twist-averaged boundary conditions and extrapolation
of the twist-averaged energy per particle calculated at three system sizes (N =113, 259, and 387)
to the thermodynamic limit of infinite system size. The DMC energies in the thermodynamic limit
are used to parameterize a local spin density approximation correlation function for inhomogeneous
electron systems. |
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