Quantum Monte Carlo study of spin-polarized deuterium

Abstract

The ground state properties of spin-polarized deuterium (D$\downarrow$) at zero temperature are obtained by means of the diffusion Monte Carlo calculations within the fixed-node approximation. Three D$\downarrow$ species have been investigated (D$\downarrow_1$, D$\downarrow_2$, D$\downarrow_3$), corresponding respectively to one, two and three equally occupied nuclear spin states. Influence of the backflow correlations on the ground state energy of the systems is explored. The equilibrium densities for D$\downarrow_2$ and D$\downarrow_3$ liquids are obtained and compared with ones obtained in previous approximate prediction. The density and the pressure at which the gas-liquid phase transition occurs at $T$=0 is obtained for D$\downarrow_1$.