The pressure-induced transition in solid para-H2 from free rotation of molecules to libration around the threefold axes of the fcc structure is calculated using an anisotropic potential including quadrupole-quadrupole and repulsive valence interactions. The rotational part of the Hamiltonian is assu
Erratum: A Monte Carlo study of the rotation-libration transition in solid H2under pressure
β Scribed by I. Aviram; S. Goshen; R. Thieberger
- Publisher
- Springer US
- Year
- 1981
- Tongue
- English
- Weight
- 18 KB
- Volume
- 42
- Category
- Article
- ISSN
- 0022-2291
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β¦ Synopsis
In Eq. ( 9) the number 107 should be replaced by 106. The results presented in the paper are based on the correct value.
π SIMILAR VOLUMES
The pressure-induced transition in solid para-H2 from free rotation of molecules to libration around the three-fold axes of the fcc structure is calculated using a completely anisotropic interaction potential of the form Vii = ~m Cm(rii)Y2m(l)i)Y2-m(l~i) including quadrupole-quadrupole and repulsive
A transfer-matrix grid path-integral method recently proposed, has been used to study vibrational intramolecular potentials for the ground X ( '&,+.) and excited B ( 51&+U) electronic states of a Br2 molecule solvated in a matrix of argon. The Monte Carlo method has been used to generate the set of
We present a complete classification of symmetry-breaking terms in the one-and two-body densities for crystallographic space group P6 3 /mmc according to irreducible representations (IR) of the extended Euclidean space group E(|R 3 ) in three dimensions. We show that these IRs of E(|R 3 ) are the or