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 densities of states and Fermi energies were accurately calculated from E(k) data obtained by the self-consistent-band Augmented Plane Wave (APW) method, using a quadratic energy expansion. The reliability of the Monte Carlo integration was investigated. It was sufficiently good to determine the anisotropy of the Fermi surface of lithium, sodium, and potassium.
Additional Material:
8 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560100207