Browsing Physics and Astronomy by Author "LeMaitre, Phil"
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Atomic Shell Structure in a Ring Polymer Formulation of Orbital-Free Density Functional Theory
LeMaitre, Phil (University of Waterloo, 2022-08-18)An alternative approach to orbital-free density functional theory based on self-consistent field theory for ring polymers is proposed and applied to isolated atoms on the periodic table in their ground-state. Using a ...