Course Identification

Quantum molecular dynamics: An introduction to molecular physics
20242291

Lecturers and Teaching Assistants

Prof. David Tannor
Gilad Levy

Course Schedule and Location

2024
First Semester
Sunday, 11:15 - 13:00, WSoS, Rm 2
Wednesday, 16:00 - 17:00, WSoS, Rm 2
13/12/2023
03/03/2024

Field of Study, Course Type and Credit Points

Chemical Sciences: Lecture; Elective; Core; 3.00 points
Physical Sciences: Lecture; Elective; Regular; 3.00 points

Comments

This course will be held by Hybrid learning
On Sundays the course will be held in FGS seminar room no. 2
On Wednesdays the course will be held in FGS seminar room no. 2

Prerequisites

Basic course on Quantum Mechanics.

Restrictions

35

Language of Instruction

English

Attendance and participation

Required in at least 80% of the lectures

Grade Type

Numerical (out of 100)

Grade Breakdown (in %)

30%
30%
40%

Evaluation Type

Examination

Scheduled date 1

14/03/2024
WSoS, Rm A
0900-1300
FGS Room A

Scheduled date 2

27/03/2024
WSoS, Rm A
0900-1300
FGS Room A

Estimated Weekly Independent Workload (in hours)

10

Syllabus

Part I Quantum Dynamics

Review of wavepacket concepts and the classical limit of quantum mechanics
Spectra as the Fourier transform of wavepacket time-correlation functions (FCFs)
Wigner representation and phase space interpretation of quantum dynamics

Part II Molecular Reaction Dynamics
Potential energy surfaces and concepts in molecular reaction dynamics
Classical transition state theory
Quantum theory of chemical reactions

Elastic scattering: phase shifts, resonances, differential and integral cross-sections

Part III Time-dependent view of molecular spectroscopy
Electronic absorption, emission and resonance Raman spectroscopy

Femtosecond pulse excitation, coherent nonlinear spectroscopy
Photodissociation
Conical intersections and non-adiabatic transitions
Coherent control of chemical reactions

Learning Outcomes

Upon successful completion of this course students should be able to:

  1. Demonstrate an understanding of molecular reaction dynamics and spectroscopy from both a traditional energy-resolved point of view and from a modern time-dependent wavepacket point of view. 

Reading List

Recommended Reading:

D. J. Tannor, Introduction to Quantum Mechanics: A Time-dependent Perspective

Books, book chapters and reference articles:

  1. E. J. Heller, The semiclassical way to molecular spectroscopy and dynamics, Acc. Chem. Res. 14, 368-375 (1981).
  2. W. H. Miller, A journey through chemical dynamics, Annu. Rev. Phys. Chem. 65, 1-19 (2014).
  3. W. H. Miller, unpublished lecture notes.
  4. R. N. Zare, Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics, Application 1, Scattering Theory, p. 23-40.
  5. R. Levine and R. B. Bernstein, Molecular Reaction Dynamics
  6. J. R. Taylor, Scattering Theory: The Quantum Theory of Nonrelativistic Collisions
  7. D. E. Manolopoulos, State to state reactive scattering, in Encyclopedia of Computational Chemistry, 2699-2708 (Wiley, 1999).
  8. C. Cohen-Tannoudji and D. Guery-Odelin,  Advances in Atomic Physics: An Overview, Ultracold interactions and their control, p. 347-404.
  9. Tutorials in Molecular Reaction Dynamics, Ed. Mark Brouard and Claire Vallance, esp. Cold and ultracold collisions, p. 392-441.

 

Website

N/A