Quantum Reaction Dynamics (QRD)

Vakbeschrijving Quantum Reaction Dynamics (QRD)
Collegejaar: 2017-2018
Studiegidsnummer: 4423QDOCR (QRD)
Docent(en):
  • Prof.dr. G.J. Kroes
Voertaal: Engels
Blackboard: Onbekend
EC: 6
Niveau: 500
Periode:
  • Geen Keuzevak
  • Geen Contractonderwijs
  • Wel Exchange
  • Wel Study Abroad
  • Geen Avondonderwijs
  • Geen A-la-Carte en Aanschuifonderwijs
  • Geen Honours Class

Quantum Dynamics of Chemical Reactions
Up to date schedule information

Description

We discuss how cross sections and probabilities for reaction can be calculated quantum mechanically for chemical reactions, based on three examples (two-dimensional model of the gas phase reaction A + BC → AB + C, photodissociation of a tri-atomic molecule, and the dissociation of a diatomic molecule on a surface). Subjects include: the scattering boundary conditions, the time-dependent and the time-independent Schrödinger equation, the stationary and the time-dependent wave function, the wave packet method, the choice of the initial wave packet, the propagation of the time-dependent wave function, the representation of the wave function and the action of the Hamiltonian operator on the wave function, and the asymptotic analysis. We also discuss several applications of the theory.

Type of teaching

Discussion meetings

Language

English

Prerequisite

Theoretical chemistry 1

Literature

Handouts & reader, and scientific articles.

Examination

By appointment

Additional info

Biennual course. This course will be given in the course year 2018-2019.

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