k=0 Librational Spectrum for Solid α-N2
- 1 March 1972
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 56 (5), 2395-2401
- https://doi.org/10.1063/1.1677547
Abstract
An alternative description of the k=0 librational spectrum of solid α‐N2 is given. A variational method where the wavefunctions of the hindered rotator are expanded in terms of spherical harmonics is used. The present calculations are limited to electrostatic quadrupole—quadrupole interactions. The k=0 librational frequencies are compared with the results obtained by classical lattice dynamics and another variational method as well as experiment.Keywords
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