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Alfio Lazzaro,14 Hans Pabst,15 Tiziano Müller,2 Robert Schade,16 ... turbation theory (DFPT), and time-dependent DFT (TD-DFT) are described in Secs. V, VI ... normalized sum over a set of selected constraint atoms C; hence, w i. (r) = ... DFT together with a SZV basis set, utilizing two compute nodes (80 CPU-cores) of.








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