Abstract

Light-matter interactions are at the heart of spectroscopy, a fundamental tool in modern chemistry to explore the structure and reactivity of molecules. Thanks to the development of mathematical models and computer code for calculating spectroscopic parameters, theoretical calculations are today an integral part of many experimental spectroscopic studies.

In the first part of my talk, I will discuss how reliable models and methods to compute the molecular response to electromagnetic radiation can be derived, and how they can be used to investigate the electronic structure and microscopic properties of materials and to interpret and validate novel experiments. In the second part, the specific effects investigated during my AIAS project will be considered. 

Short CV

Sonia Coriani is an Associate Professor in Theoretical Chemistry at the Department of Chemical and Pharmaceutical Science, University of Trieste, Italy.  She graduated in Chemistry from the University of Modena (Italy) in 1993 and received her PhD degree in Science from the Aarhus University, Denmark,  in 2000. Her research focuses on the development and application of wave-function- and density-functional-based methods for accurate determination of molecular properties, with emphasis on structural properties, nonlinear optics, birefringence and dichroism effects, and, more recently, X-ray related phenomena. She is an author of the Dalton program.

Sonia Coriani's project at AIAS.

What is a Fellows' Seminar?

The AIAS Fellows' Seminar is a session of seminars held by the AIAS fellow or by other speakers proposed by the fellows. In each seminar, one fellow will present and discuss his/her current research and research project, closing off with a question and discussion session.

All seminars are held in English and open to the public. Registration to the seminar is not necessary. Read more about the AIAS Fellows' Seminar here.