Abstract
Solid hydrogen in the atomic bcc structure is studied using a variational quantum Monte Carlo approach. Various magnetic phases are investigated at densities between Wigner-Seitz radius of =1.6 and 3.0 a.u. Correlated wave functions of Jastrow-Slater form are used with their antisymmetric part constructed from the Kohn-Sham self-consistent orbitals. A transition from paramagnetic to antiferromagnetic phase at lower density is found at =2.4. There is, however, no evidence for metastable partial ferromagnetic structure.
- Received 20 August 1990
DOI:https://doi.org/10.1103/PhysRevLett.65.2414
©1990 American Physical Society