✦ LIBER ✦

Quantum mechanical treatment of librations (and librons) in molecular solids

✍ Scribed by N. Jacobi; O. Schnepp

Publisher: Elsevier Science
Year: 1972
Tongue: English
Weight: 641 KB
Volume: 13
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(72)80097-6

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✦ Synopsis

I_ ~~quantum lattice dynamics treatment is presented far the angular degrees of freedom in molecular solids Vari-. : :.. -&onal wavefunctions are chosen to -an the whole range from high to low rotational barriers. The theory is applied -..' to quatipole forcesin solid.hydrogen, nitrogen and carbon dioxide_ It is concluded that quadrupole fdrces provide a. bett.tr description of ankotrbpic forces in nitrogen than in CO,_ In the limit, the treatment gives a valid descrip fion.orthe librpns in solid orthehydrogcn. _ .. :

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