Chemist no. 307 of 350 · Theoretical/Quantum
Robert Parr
1921-2017United States
Density functional theory of atoms and molecules
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Robert Parr and Density Functional Theory: Chemistry from the Electron Density
Understand Robert Parr's role in DFT: Hohenberg-Kohn theorems, Kohn-Sham equations, LYP functional, electronegativity and hardness for NET and GATE.
Publishing soon · 6 min readBiography
Robert G. Parr (1921–2017): Giving Chemistry Its Own Density Functional Theory
Biography of Robert G. Parr (1921-2017): Pariser-Parr-Pople method, North Carolina, LYP functional, conceptual DFT and student lessons.
Publishing soon · 5 min readAcademic lineage
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