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Humboldt-Universität zu Berlin - Mathematisch-Naturwissen­schaft­liche Fakultät - SFB 951 - HIOS

A10
Van-der-Waals effects on dynamics and THz spectroscopy of HIOS
Completed Project

Objectives

The binding between conjugated organic molecules and inorganic substrates is mainly driven by van-der-Waals (vdW) interactions. These vdW interactions must be treated self-consistently by many-body methods based on a quantum-mechanical description of the system. We will systematically study the role of self-consistent many-body vdW interactions in HIOS. We will develop, implement, and apply the self-consistent DFT+MBD method to study static and time-dependent phenomena for a hierarchy of HIOS. These results will be compared with linear and non-linear THz spectroscopy by the experimental projects. Close exchange with other theory projects will provide access to reliable benchmarks for vdW interactions in HIOS.

 

Principal Investigators


tkatchenko.jpg

Alexandre Tkatchenko

030 8413 4802

tkatchenfhi-berlin.mpg.de

scheffler.jpg

Matthias Scheffler

030 8413 4711

schefflerfhi-berlin.mpg.de

 

Postdoctoral Researchers


kleshchonok.jpg

Andrii Kleshchonok

030 8413 4846

kleshchonokfhi-berlin.mpg.de

kabeer.jpg

Fairoja Ch. Kabeer

030 8413 4832

kabeerfhi-berlin.mpg.de

 

Doctoral Students


ferri.jpg

Nicola Ferri

030 8413 4850

ferrifhi-berlin.mpg.de

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Jan Hermann

030 8413 4837

jhermannfhi-berlin.mpg.de


Institutions:        FHI-Logo        HZB-Logo          Uni Potsdam-Logo          TU Berlin-Logo         HU Berlin-Logo

            IRIS Logo              Funded by:       DFG Logo