Speaker: Associate Professor Tim Gould
Affiliation: Griffith University
Abstract
Density Functional Theory (DFT) is the workhorse of electronic structure theory calculations across physics, chemistry, engineering and biology. Its popularity stems from reasonably accurate, yet cheap, approximations that enable prediction of complex chemical systems. I will first introduce the theory behind DFT, to highlight the exact results that underpin popular approximations. I will then discuss my own work on 'ensemblisation' that extends the core theory and approximations into new regimes of electronic matter - especially excited state physics.
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Venue
Room: 358
