Quantum Monte Carlo study of the relativistic spin-polarized jellium
Abstract
We apply the variational and fixed-node diffusion quantum Monte Carlo methods to calculate the ground state energy of the unpolarized ( ξ = 0) and fully polarized ( ξ = 1) homogeneous electron gas at zero temperature within the density range r s = 0.1–10.0, incorporating relativistic effects via first-order perturbation theory. The relativistic correction terms are compared with the Hartree-Fock expectation values. It is found that electron correlation is significant at intermediate densities r s ~ 1.0–5.0. This demonstrates the importance of a proper treatment of electron correlation in RDFT calculations.
Fields of Study & Subjects
Advanced Chemical Physics Studies
Physics of Superconductivity and Magnetism
Atomic and Molecular Physics
Publication details
- Journal / source
- CRC Press eBooks
- Pages
- 833–838
- Publication date
- 24 February 2026
- Language
- EN
- Document type
- Book chapter