Indian Institute of Technology Delhi
Extreme ends of Interaction energy Scales in Quantum Chemistry
Dr. Mainak Sadhukhan
UNIVERSITÉ DU LUXEMBOURG, Luxembourg
Date: January 5th 2018 (Friday)
Time: 4 PM
Venue: Committee Room, Chemistry Department, 6th Floor
A chemist's fundamental quest is the understanding and exploitation of the
mechanism of bond breaking and bond making processes. However, for
theoretical understanding of the exact mechanistic path, there are some
big roadblocks. One of them is the large span of interaction strengths
that electron density encounters during the chemical reaction. In this
talk, I will present our understanding of electron dynamics under strong
external fields as well as the tiny interaction scales of noncovalent
interactions. In the first part of the talk, I will present the electron
dynamics under strong external fields which also lead to chaotic dynamics.
We will see why and how? In the second part we will shift our attention to
quantum mechanics of full Coulomb coupled quantum Drude oscillators. This
model system provides interesting clues about how van der Waals
interactions change in confined situations and how we can come up with an
accurate yet tractable scheme for estimating van der Waals interactions in
real life systems.
All are cordially invited to attend.