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New approach to energy-band calculations with results for lithium metal

O'Keefe, Patricia M. and Goddard, William A., III (1969) New approach to energy-band calculations with results for lithium metal. Physical Review Letters, 23 (6). pp. 300-303. ISSN 0031-9007. http://resolver.caltech.edu/CaltechAUTHORS:OKEprl69

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Abstract

A new method, the GI method, for electronic wave functions has been applied to the study of energy bands in bcc lithium metal. The GI method leads to energy bands for lithium comparable with the Hartree-Fock bands except that small gaps occur within the first Hartree-Fock Brillouin zone. This leads to a compelling interpretation of several anomalous experimental properties of alkali metals (such as the very low optical absorption threshold and the lack of saturation of the transverse magnetoresistance).


Item Type:Article
Additional Information:©1969 The American Physical Society. Received 23 June 1969. Work partially supported by National Science Foundation Grant No. GP-6965. [P.M.O'K was a] National Defense Education Act Fellow. {W.A.G., III was a] Alfred P. Sloan Fellow.
Record Number:CaltechAUTHORS:OKEprl69
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:OKEprl69
Alternative URL:http://dx.doi.org/10.1103/PhysRevLett.23.300
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:5130
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:03 Oct 2006
Last Modified:18 Sep 2014 18:11

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