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Electronic Structure Theories (ab initio, DFT) and Software

Electronic Structure Theories (ab initio, DFT) and Software. Jemmy Hu SHARCNET HPC Consultant at Trent University June 23, 2010 https://www.sharcnet.ca/~jemmyhu/Trent_talk.ppt. Introduction. Theoretical background - ab initio methods - density functional theory (DFT) - basis set

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Electronic Structure Theories (ab initio, DFT) and Software