ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The electron density of both the perturbed and unperturbed crystal can be made up of individual terms described by the basis functions of irreducible representations of the crystal point group. For the perfect FCC lattice, a detailed comparison was made between the density of states, calculated in terms of the LCAO wave functions classified according to representations of the crystal point group, and the density of states, provided by the Bloch theory.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560140203
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