Quantum Monte Carlo study of spin-polarized deuterium

摘要

The ground-state properties of spin-polarized deuterium (D↓) at zero temperature are obtained by means of diffusion Monte Carlo calculations within the fixed-node approximation. Three D↓ species have been investigated (D↓_1, D↓_2, D↓_3), corresponding respectively to one, two, and three equally occupied nuclear-spin states. The influence of the backflow correlations on the ground-state energy of the systems is explored. The equations of state of liquid D↓_2 and D↓_3 are obtained and compared with the ones obtained in previous approximate predictions. The density and pressure at which D↓_1 experiences a gas-liquid transition at T = 0 are obtained.