TDDFT in Chemistry and Biochemistry III - TDDFT.org
TDDFT in Chemistry and Biochemistry III - TDDFT.org
TDDFT in Chemistry and Biochemistry III - TDDFT.org
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All Roads Lead to RomeFrequency-Doma<strong>in</strong>TechniquesPoles of Density ResponseTime-Doma<strong>in</strong> TechniquesL<strong>in</strong>ear Density ResponsePolarizability α(ω)Excitation Energies ΩnOne-Photon Cross Sections σn(1P)Time Evolution of ElectronDensityQuadratic Density ResponseHyperpolarizability β(ω,ω')Excitation Energies ΩnTwo-Photon Cross Sections σn(2P)L<strong>in</strong>e ShapesFourierTransformHigher-Order DensityResponseExcitation Energies ΩnHigher-Order Cross Sections σn(nP)Electronic Absorption SpectraDmitrij Rappoport (Harvard U.) <strong>TDDFT</strong> <strong>in</strong> <strong>Chemistry</strong> <strong>III</strong> <strong>TDDFT</strong> W<strong>in</strong>ter School 2010 3 / 22
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