One-Phonon Excited States of Solid<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>in the Ordered Phase
Kirby N. KlumpDepartment of Chemistry, University of Southern California, Los Angeles, California 90007O. SchneppDepartment of Chemistry, University of Southern California, Los Angeles, California 90007L. H. NosanowDepartment of Chemistry, University of Southern California, Los Angeles, California 90007
1970lv
ABI
Abstract
Optical-phonon frequencies of ordered solid ${\mathrm{H}}_{2}$ and ${\mathrm{D}}_{2}$ have been calculated using a Lennard-Jones intermolecular potential derived from measurements of gas-phase properties. Good agreement with experiment is obtained. Density-of-states functions and phonon dispersion curves in three directions have also been computed.
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Cited by 20 references