Diffusion Monte Carlo study of the equation of state of solid ortho-D
arXiv:cond-mat/0612280 · doi:10.1103/PhysRevB.73.184124
Abstract
We present results of Diffusion Monte Carlo calculations for a system of solid ortho-D_2 at different densities, for pressure ranging from 0 up to 350MPa. We compare the equation of state obtained using two of the most used effective intermolecular potentials, i.e. the Silvera--Goldman and the Buck potentials, with experimental data, in order to assess the validity of the model interactions. The Silvera-Goldman potential has been found to provide a satisfactory agreement with experimental results, showing that, as opposed to what recently found for p-H_2, three--body forces can be efficiently accounted for by an effective two--body term.
11 pages, 4 figures
References in corpus (1)
Cited by in corpus (9)
- Quantum statistics and the momentum distribution of liquid para-hydrogen
- Atomic displacements in quantum crystals
- Three-body potential energy surface for parahydrogen
- Equation of State and First Principles Prediction of the Vibrational Matrix Shift of Solid Parahydrogen
- Muonium hydride: the lowest density crystal
- Microscopic pair potentials and the physical properties of the condensed phase of parahydrogen
- A neural network-based four-body potential energy surface for parahydrogen
- Path-integral Monte Carlo simulations of solid parahydrogen using two-body, three-body, and four-body ab initio interaction potential energy surfaces
- Isotopic separation in mixed clusters of molecular hydrogen