The lecture introduces modern electronic structure methods and their applications in physics and computational chemistry. The methods that will be discussed include Hartree Fock, configuration interaction, multireference methods, perturbation theory, density functional theory, and combined quantum mechanical/molecular mechanical methods. The lecture is accompanied by a seminar that includes solving theory exercises and practical computer work using the Gaussian software.
0.1.01 Hörsaal B
wöchentlich, ab 23.04.2020, 16:00 - 18:00 (12 Termine)