Peer-Reviewed Journal Details
Mandatory Fields
Wang XW, Zhu J, Louie SG, Fahy S;
1990
November
Physical Review Letters
Magnetic structure and equation of state of bcc solid hydrogen: A variational quantum Monte Carlo study.
Validated
()
Optional Fields
65
19
2414
2417
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 rs=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 rs=2.4. There is, however, no evidence for metastable partial ferromagnetic structure.
http://link.aps.org/doi/10.1103/PhysRevLett.65.2414
10.1103/PhysRevLett.65.2414
Grant Details