Further developments in the local-orbital density-functional-theory tight-binding method
نویسندگان
چکیده
James P. Lewis, Kurt R. Glaesemann, Gregory A. Voth, Jürgen Fritsch, Alexander A. Demkov, José Ortega, and Otto F. Sankey Henry Eyring Center for Theoretical Chemistry and Department of Chemistry, University of Utah, 315 S. 1400 E., Rm. 2020, Salt Lake City, Utah 84112-0850 Institut für Theoretische Physik, Univesität Regensburg, D-93040 Regensburg, Germany Physical Sciences Research Labs, Motorola, Inc., Tempe, Arizona 85284 Departmento de Fı́sica Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain Department of Physics and Astronomy, Arisona State University, Tempe, Arizona 85217-1504 ~Received 22 December 2000; revised manuscript received 27 March 2001; published 15 October 2001!
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