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The Use of the GI Method in Band Calculations on Solids

Goddard, William A., III and O'Keefe, Patricia M. (1971) The Use of the GI Method in Band Calculations on Solids. In: Computational Methods in Band Theory. The IBM Research Symposia Series. Springer US , Boston, MA, pp. 542-569. https://resolver.caltech.edu/CaltechAUTHORS:20180720-145549591

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Abstract

The application of the GI method to band calculations is discussed with primary emphasis on the alkali metals. The GI method goes beyond Hartree-Fock by allowing all orbitals to split, however the total wavefunction is modified so as to retain the correct spin symmetry. We find that the resulting band structure leads to a natural explanation of such puzzling properties as, the magneto-resistance, the prepeaking of the soft X-ray emission spectrum of Li, and the Mott Paradox.


Item Type:Book Section
Related URLs:
URLURL TypeDescription
https://doi.org/10.1007/978-1-4684-1890-3_45DOIArticle
https://link.springer.com/chapter/10.1007%2F978-1-4684-1890-3_45PublisherArticle
ORCID:
AuthorORCID
Goddard, William A., III0000-0003-0097-5716
Additional Information:© Plenum Press, New York 1971.
Other Numbering System:
Other Numbering System NameOther Numbering System ID
WAG0029
Series Name:The IBM Research Symposia Series
DOI:10.1007/978-1-4684-1890-3_45
Record Number:CaltechAUTHORS:20180720-145549591
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20180720-145549591
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:88089
Collection:CaltechAUTHORS
Deposited By: Donna Wrublewski
Deposited On:20 Jul 2018 22:16
Last Modified:16 Nov 2021 00:23

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