CP2K - CORE
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. Télécharger CP2K - CORE pdf
