The topic of this course is the quantum mechanical description of nuclear motion. Even though nuclei are much heavier then electrons many phenomena involving nuclear motion, such as vibrational zero point energy, tunneling, resonances, and quantized rotation, cannot be described by classical mechanics.
This course starts with the coupled electronic and nuclear motion in molecules and the BornOppenheimer approximation required to disentangle them. Nuclear motion involves bound states, describing rotation and vibration and continuum states, describing collisions of atoms and molecules. Timedependent and timeindependent description of nuclear motion is possible, and they form the basis of different computation approaches.
When possible, the concepts are introduced in onedimensional examples. Mathematical derivations are given and numerical methods to solve quantum dynamical problems are discussed. Computer assignments are given in which the theory can be applied to solve actual quantum dynamical problems.
Instructional Modes
