Vibration–rotation–translation spectrum of molecular hydrogen in fullerite lattices around 80K

Abstract

Abstract Calculations are presented for the fundamental vibration–rotation spectrum of H 2 in fcc C 60 (fullerite) lattices near 80 K using the approach and the parameters used by Herman and Lewis [Phys. Rev. B 73 (2006) 155408; in: E. Oks, M. Pindzola (Eds.) Spectral Line Shapes, AIP Conference Proceedings, No. 874, American Institute of Physics, 2006, pp. 162–176 (Proceedings of the 18th ICSLS)] at 293 K. Good agreement is found with recent drift spectra of FitzGerald et al. [Personal communication, 2006]. It is argued that our approach cannot be extended to the 10 K spectrum without significant modification.