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Density Functional Theory Richard M. Martin University of Illinois

Density Functional Theory Richard M. Martin University of Illinois. Cu d orbitals. Electron density in La 2 CuO 4 - difference from sum of atom densities - J. M. Zuo (UIUC). Outline. DFT is an approach to Interacting Many-Body Problems Hohenberg-Kohn Theorems & Levy-Lieb Construction

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860 views • 43 slides

Consider the transition Ar (3p) 6 , 1 S 0 ? Ar (3p) 5 (4p), 1 P 1

Consider the transition Ar (3p) 6 , 1 S 0 ? Ar (3p) 5 (4p), 1 P 1 Is it an allowed transition, and if not, why not? (A) allowed (B) not allowed, because no spin change (C) not allowed, because promoting a p-electron to another p-orbital (D) not allowed, because J=0 ? J=1

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218 views • 6 slides

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Particle problem - PowerPoint PPT Presentation

Density Functional Theory Richard M. Martin University of Illinois

Consider the transition Ar (3p) 6 , 1 S 0 ? Ar (3p) 5 (4p), 1 P 1