Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists

Research Article| January 01, 2010 Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists John P. Perdew; John P. Perdew Department of Physics and Engineering Physics Tulane University New Orleans, Louisiana 70118, U.S.A., perdew@tulane.edu Search for other works by this author on: GSW Google Scholar Adrienn Ruzsinszky Adrienn Ruzsinszky Department of Physics and Engineering Physics Tulane University New Orleans, Louisiana 70118, U.S.A., perdew@tulane.edu Search for other works by this author on: GSW Google Scholar Reviews in Mineralogy and Geochemistry (2010) 71 (1): 1–18. https://doi.org/10.2138/rmg.2010.71.1 Article history first online: 09 Mar 2017 Cite View This Citation Add to Citation Manager Share Icon Share Facebook Twitter LinkedIn MailTo Tools Icon Tools Get Permissions Search Site Citation John P. Perdew, Adrienn Ruzsinszky; Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists. Reviews in Mineralogy and Geochemistry 2010;; 71 (1): 1–18. doi: https://doi.org/10.2138/rmg.2010.71.1 Download citation file: Ris (Zotero) Refmanager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentBy SocietyReviews in Mineralogy and Geochemistry Search Advanced Search Mineralogists and geophysicists need to understand and predict the properties of solids and liquids at normal and especially at high pressures and temperatures. For example, they need to know the equilibrium structure, equation of state, phase transitions, and vibrational properties of solids, and the interatomic or intermolecular interaction needed for a molecular dynamics study of liquids (Stixrude et al. 1994; Soederlind and Ross 2000; Karki et al. 2001; Alfè et al. 2002; Steinle-Neumann et al. 2004; Sha and Cohen 2006; Carrier et al. 2007). This information, in sufficient detail, is not always... You do not have access to this content, please speak to your institutional administrator if you feel you should have access.