Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the behavior of electrons. While essential in modeling systems with many electrons, ...
9monon MSN
Density functional theory's self-interaction correction falters in transition metals, study finds
Density functional theory (DFT) is a cornerstone tool of modern physics, chemistry, and engineering used to explore the ...
My group started working on hybrid DFT three years ago when we began our collaboration with the Park group, with whom we were trying to understand the properties of conducting metal-organic frameworks ...
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