Seminar


Department of Chemistry
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.
Convener (Seminars)