Electronic Resource
[S.l.]
:
International Union of Crystallography (IUCr)
Acta crystallographica
37 (1981), S. 374-377
ISSN:
1600-5724
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
Self force constants φijαβ \Bigl \matrix { l l \cr \kappa \kappa} \Bigr, that are needed in lattice dynamical calculations making use of external-mode formalism, are obtained. There is a need to include quadratic components in angular displacements (of clusters) while computing atomic displacements. In particular, the rotation-rotation self force constant φrrαβ \Bigl \matrix { l l \cr \kappa \kappa} \Bigr derives an extra term because of the quadratic terms. Implications of this term in lattice dynamical calculations are discussed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S056773948100082X
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