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 | |||||||||
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| Additional Information: | © Plenum Press, New York 1971. | |||||||||
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| 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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