Introduction to Quantum Mechanics with examples related to chemistry
Theory and application of quantum simulations to model, understand, and predict the properties of real materials.
Ce cours exploite les techniques de chimie quantique et de modélisation moléculaire dans le cadre d'un projet de recherche visant a résoudre un problème chimique en binôme.
Repetition of the basic concepts of quantum mechanics and main numerical algorithms used for practical implementions. Basic principles of electronic structure methods:Hartree-Fock, many body perturbat
The course covers several exact, approximate, and numerical methods to solve the time-dependent molecular Schrödinger equation, and applications including calculations of molecular electronic spectra.
This course will discuss the main methods for the simulation of quantum time dependent properties for molecular systems. Basic notions of density functional theory will be covered. An introduction to
To provide an introduction into the field of nonlinear spectroscopy, and focus in particular on linear and nonlinear light scattering
The numerical simulation of quantum systems plays a central role in modern physics. This course gives an introduction to key simulation approaches, through lectures and practical programming exercises
Le cours comporte deux parties. Les bases de la thermodynamique des équilibres et de la cinétique des réactions sont introduites dans l'une d'elles. Les premières notions de chimie quantique sur les é
Introduction into optical spectroscopy of molecules
