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Titlebook: Computational Methods in Band Theory; Proceedings of a Con P. M. Marcus,J. F. Janak,A. R. Williams Conference proceedings 1971 Plenum Press

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書目名稱Computational Methods in Band Theory
副標題Proceedings of a Con
編輯P. M. Marcus,J. F. Janak,A. R. Williams
視頻videohttp://file.papertrans.cn/233/232751/232751.mp4
叢書名稱The IBM Research Symposia Series
圖書封面Titlebook: Computational Methods in Band Theory; Proceedings of a Con P. M. Marcus,J. F. Janak,A. R. Williams Conference proceedings 1971 Plenum Press
描述This volume contains the papers presented at the Conference on Computational Methods in Band Theory sponsored jointly by IBM and the American Physical Society and held at the IBM Thomas J. Watson Research Center, Yorktown Heights, New York, on May 14-15, 1970. The purpose of the conference was a sharing of information on the computational problems involved in relating models for the electron-electron and electron-ion interactions to experimentally measurable quantities. The papers comprising this volume therefore present up-to-date methodology for the calculation of single-particle energies and wave functions for periodic and near-periodic systems, the integration over these states required to describe experiment, and computationally practicable procedures for the introduction of exchange and correlation and the achievement of self-consistency. The proceedings is actually an expansion of the conference in that, unlike the oral presentations, the papers were not limited as to length. Furthermore, time was allowed after the conference to permit the papers to be written with the conference in retrospect, and five "prepared discussion" papers written by attendees of the conference but
出版日期Conference proceedings 1971
關(guān)鍵詞Potential; band structure; band theory; experiment; information; paper; society; solution; susceptibility; wa
版次1
doihttps://doi.org/10.1007/978-1-4684-1890-3
isbn_softcover978-1-4684-1892-7
isbn_ebook978-1-4684-1890-3
copyrightPlenum Press, New York 1971
The information of publication is updating

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Conference proceedings 1971 Society and held at the IBM Thomas J. Watson Research Center, Yorktown Heights, New York, on May 14-15, 1970. The purpose of the conference was a sharing of information on the computational problems involved in relating models for the electron-electron and electron-ion interactions to experimentall
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Substances Containing C10H16...Zng of standard formulas for the structure constants, the present approach enables them to be evaluated by expending computer times which are of the same order as the times required to calculate the KKR determinants from their matrix elements.
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