Quantum dynamics, NWI-SM295, April 2019, 3EC
Lecturer: Gerrit Groenenboom
Please read the announcement of April 13, 2020 on brightspace
Summary: you can also do the quantum theoretical chemistry course this 4th quarter 2020, if you have not done it already.
April 8, 2020 version of :
lecture notes
Computer assignments and computer classes
There will be three computer assignments (see below).
To get started with the assignments there will be three computer classes (HG03.761):
- Wed, 10 Apr 2019, 15:45-17:30 (bound state problems)
- Wed, 08 May 2019, 15:45-17:30 (tunneling)
- Wed, 29 May 2019, 15:45-17:30 (elastic scattering)
Lectures
- Week 1
- Born-Oppenheimer approximation, 1st+2nd step
- Nonadiabatic coupling
- Rotation and vibration of diatom molecule
- Week 2, 16 April 2019
- Time-dependent Schroedinger equation, solution
in finite basis
- Matrix exponentiation, functions of matrices
Lecture notes: chapter 3, Griffith: Appendix on linear algebra
- Week 3, 23 April 2019
- Gaussian wave packet solution of the
one dimensional time-dependent Schrodinger
equation
- Flux-operator
- Week 4. 7 May 2019
- Time independent scattering in 1 dimension, tunneling
- Collinear A+BC elastic scattering
- Collinear A+BC inelastic scattering, coupled channels equation
- Week 5. 14 May 2019
- The central force problem
- Classical: Newton and Hamilton
- Angular momentum and impact parameter
- Plane waves and spherical waves
- Boundary conditions for 3D elastic scattering
Lecture notes: chapter 11, 11.1, 11.2, 11.3
- Week 6
- Expansion of plane waves in partial waves
- Scattering amplitude and S-matrices
- Integral and differential cross sections
- Week 7
- Week 8
- Angular momentum theory
- Wigner D-matrix
- Spherical harmomic addition theorem
Exercises
- Week 1 (pdf
, answers-wk1.pdf
)
- Separating the center-of-mass motion
- Harmonic oscillator
- Morse oscillator
- Week 2 (pdf,
answers-wk2.pdf
)
- Time-propagator
- Autocorrelation function and spectrum
- Week 3 (pdf,
answers-wk3.pdf,
normalization factor
)
- Time wave packet for free particle
- Flux
- One-dimensional scattering
- Week 4 (pdf,
answers-wk4.pdf)
- Kinetic energy operator in 3D
- Coupled channels equation for collinear A+BC
- Week 5 (pdf,
answers-wk5.pdf)
- Plane waves and spherical waves
- Flux in spherical polar coordinates
- Week 6 (pdf,
answers-wk6.pdf)
- Plane wave expansion
- Scattering amplitude and S-matrices
- Integral and differential cross sections
- Week 7 (pdf,
answers-wk7.pdf)
- Atom-molecule and molecule molecule inelastic scattering
- S-matrices, scattering amplitude, and state-to-state
differential cross sections
- Week 8
(pdf,
answers-wk8.pdf)
)
- Angular momentum theory
- Wigner rotation matrices
- Spherical harmonic addition theorem
Computer assignment
Exam example
Exam 21 July 2014
References
- Back to
- [ Theoretical Chemistry |
science faculty |
RU]
Last updated: June 9, 2019, by Gerrit C. Groenenboom,
e-mail: gerritg at theochem dot ru dot nl