Full-Potential LMTO: Total Energy and Force Calculations

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dc.creatorWills, John M
dc.creatorEriksson, Olle
dc.creatorAlouani, Mebarek
dc.creatorPrice, David L.
dc.date1999-12-10
dc.date.accessioned2026-07-07T03:15:30Z
dc.date.available2026-07-07T03:15:30Z
dc.descriptionThe essential features of a full potential electronic structure method using Linear Muffin-Tin Orbitals (LMTOs) are presented. The electron density and potential in the this method are represented with no inherent geometrical approximation. This method allows the calculation of total energies and forces with arbitrary accuracy while sacrificing much of the efficiency and physical content of approximate methods such as the LMTO-ASA method.
dc.description25 pages, 2 figures, Workshop on the TB-LMTO method, Monastery of Mont St. Odile, October 4-5, 1998
dc.identifierhttps://arxiv.org/abs/cond-mat/9912173
dc.identifierhttp://arxiv.org/abs/cond-mat/9912173
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/30048
dc.subjectMaterials Science
dc.titleFull-Potential LMTO: Total Energy and Force Calculations
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