Dresden 2020 – wissenschaftliches Programm

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 26: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions II (joint session O/CPP/DS/HL)

Montag, 16. März 2020, 15:00–17:30, GER 38

15:00 CPP 26.1 Satellites in optical and loss spectra — •Pier Luigi Cudazzo
15:15 CPP 26.2 The XPS limit within the one-step model of photoemission: temperature and photon energy effects — •Laurent Nicolaï, Vladimir Strocov, Juraj Krempaský, Federico Bisti, Jürgen Braun, Hubert Ebert, Charles Fadley, Ajith Kaduwela, Nicholas Pike, Matthieu J. Verstraete, and Ján Minár
15:30 CPP 26.3 Ab Initio Linear and Pump-Probe Spectroscopy of Naphthalene Crystals — •Alan Lewis and Tim Berkelbach
15:45 CPP 26.4 All-electron real-time TDDFT implementation with Ehrenfest molecular dynamics — •Ronaldo Rodrigues Pela and Claudia Draxl
16:00 CPP 26.5 Ab initio study of nonradiative recombination for defects in MoS2 via multiphonon emission — •Simone Manti, Lukas Razinkovas, Audrius Alkauskas, and Kristian Thygesen
16:15 CPP 26.6 Phonon-induced electronic relaxation in a strongly correlated system: the Sn/Si(111) (√3 × √3) adlayer revisited — •Peter Kratzer and Maedeh Zahedifar
16:30 CPP 26.7 Spectral properties of the interacting homogeneous electron gas — •Tommaso Chiarotti, Nicola Marzari, and Andrea Ferretti
16:45 CPP 26.8 Multipole Polarizabilites of Positronium and Its Interaction with Atoms and Molecules — •Jorge Charry, Dmitry Fedorov, and Alexandre Tkatchenko
17:00 CPP 26.9 Energy gap closure of crystalline molecular hydrogen with pressure — •Vitaly Gorelov, Markus Holzmann, David M. Ceperley, and Carlo Pierleoni
17:15 CPP 26.10 Using the powerful electronic structure theory to identify single photon emitters in h-BN. — •Sajid Ali
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