A View of Theoretical Chemistry Research Lab (CHEL 101, Department of Chemistry, IIT Guwahati, Assam- 781039, India)
We are a Theoretical Chemistry group in the Department of Chemistry at IIT Guwahati, Assam, India.Â
We are a theoretical chemistry group studying electronic resonances in non-Hermitian domain of quantum chemistry. To deal with the electronic resonance problem one need to employ the outgoing boundary condition. We believe Modified Smooth Exterior Scaling (MSES) is the best way to do so. We are also exploring the Complex Absorbing Potential (CAP) as a side quest. Both methods have their own set of pros and cons and we are very much interested in understanding them.