Advanced TDDFT II (NM) - TDDFT.org

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aiω = 2(ε a ε i )ωbound, localized double excitation withenergy in the continuumsingle excitation to continuumElectron-interaction mixes these states Fano resonance A<strong>TDDFT</strong> does not get these – double-ex
Getting the cross-section in <strong>TDDFT</strong>Photo-absorption cross section:Where ,^^How does the exact kernel addthe resonant bump to χ s ?Need to do a degenerate perturbation theory analysis in the continuum,diagonalizing the bound double-excitation with the continnum states.Aha! Luckily this is closely along the lines of what Fano did in 1961…
Page 1 and 2: Advanced TDDFTII. Double Excitation
Page 3 and 4: TDDFT linear response in quantum ch
Page 5 and 6: Double (Or Multiple) ExcitationsHow
Page 7 and 8: Invert and insert into Dyson-like e
Page 9 and 10: General case: Diagonalize many-body
Page 11 and 12: When are states of double-excitatio
Page 13 and 14: Before doing this, as we are speaki
Page 15: Auto-ionizing Resonances in TDDFTEg
Page 19 and 20: ConsiderFano into TDDFTto be Kohn S
Page 21 and 22: Solooks likeKrueger, Mullady, Maitr
Page 23 and 24: An Exercise!• Deduce something ab

Advanced TDDFT II (NM) - TDDFT.org

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