Anisotropic contributions to the ground-state properties of solid para-H2

✍ Scribed by R. D. Etters; R. Danilowicz; W. England

• Publisher: Springer US
• Year: 1978
• Tongue: English
• Weight: 339 KB
• Volume: 32
• Category: Article
• ISSN: 0022-2291
• DOI: 10.1007/bf00117968

✦ Synopsis

The local field approximation is modified so that the translational and rotational degrees of freedom of the He molecule are treated on an equal basis, when calculating the equation of state for solid para-H2. Near normal vapor pressure the anisotropies in the H2 pair interaction are found to make a negligible contribution to the binding energy and the equation of state, but that contribution increases with increasing pressure. However, the isotropic part of the potential plays the dominant role in determining the equation of state at all molar volumes investigated 3<-V<~22.65cm3/mole. At extremely high pressures the results tend toward previous findings that were based upon a frozen P42/mnm (y-N2) orientational structure.