Mathematical introduction: operator algebra, Fourier transformation, numerical and statistical methods, Schrödinger equation, Born-Oppenheimer approximation. Classical dynamics: classical trajectories, force fields, distribution of velocities, constraint and restraints, ab initio molecular dynamics, time dependent properties. Quantum dynamics: time independent wavefunction, model potentials: scattering and bound states, solution of Schrödinger equation, time development of wavefunction, operator of time development, time development of wavepackets, multiconfigurational time dependent Hartree method. Reaction dynamics: molecular reaction dynamics, activation energy, potential energy surfaces and chemical reactions, time resolved spectroscopy, nonadiabatic dynamics.
description of instruction methods Lectures, consultations and seminars.
- OBVEZNA LITERATURA:
I. N. Levine, Quantum Chemistry, 7th Ed., Pearson, 2016.
P. Atkins i R. Friedman, Molecular Quantum Mechanics, 5th Ed., Oxford University Press, Oxford, 2011.
Suvremena znanstvena literatura
- DOPUNSKA LITERATURA:
revijalni članci i znanstvene monografije