The theory of electronic structure and molecular dynamics
Jan 23, 2017 13:30
Feb 2, 2017 16:00
CFEL (Bldg. 99)
Seminar Room V, O1.109
The course provides an overview of molecular electronic structure theory, covering the Hartree-Fock method, many-body perturbation theory, multiconfiguration self-consistent field, configuration interaction, coupled cluster, and density functional theory. Also it will discuss how to treat the interaction of molecules with electromagnetic fields. After this, it will cover the basics of molecular dynamics.