### Mondays, 4:15–5:30 in Cuneo Hall 103

SMaRT (Seminar in Mathematics Research for sTudents) is the class for MATH 390.

*Students who are not enrolled in the course and faculty are also welcome to attend.*

For the students enrolled in MATH 390, the seminar will cultivate their presentation skills through participation and critical discussion of brief lectures on familiar and unfamiliar topics. Enrolled students will be able to access a detailed syllabus for the course and further resources on Sakai.

Professor:
Dr. Carmen Rovi

Cuneo Hall is located in the Loyola's Lake Shore Campus, on 6430 N. Kenmore Avenue, Chicago, IL
(map)

**February 6:**
Dr Xiang Wan -

* Discrete Variable Representation Theory and Applications in Quantum Chemistry:*
Molecules are made up of multiple atoms connected by bonds that are constantly changing in length, resulting in vibrational movement. Such intra-molecular motion fundamentally determines energy levels and wave functions of molecules, which is one of the main objectives in quantum chemistry. Mathematically, Schrödinger equation is used to model molecular vibrations, and therefore solving the equation (more precisely, understanding the Schrödinger operator), either analytically or numerically, is critical for us to understand these particles.
In this talk, we will introduce the Discrete Variable Representation (DVR) method, which develops a finite dimensional approximation to the infinite dimensional Schrödinger operator and constructs a non-trivial basis for the associated matrix to be sparse (therefore making the computation feasible). We will explore the mathematical derivation of the finite dimensional matrices and applications of the DVR method on molecules of different sizes.