Advanced TDDFT II (NM) - TDDFT.org
Advanced TDDFT II (NM) - TDDFT.org
Advanced TDDFT II (NM) - TDDFT.org
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First, quick recall of how we get excitations in<strong>TDDFT</strong>: Linear response(Petersilka, Gossmann & Gross (1996), Casida, (1996))Poles at trueexcitationsPoles at KSexcitationsadiabatic approx: no ω-depNeed (1) ground-state v S,0 [n 0 ](r), and its bare excitations(2) XC kernel~ δ(t-t’)Yields exact spectra in principle; inpractice, approxs needed in (1) and (2).
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