CHEM 568-002
QUANTUM DYNAMICS
ACHTUNG:
PROJECT INFO !!!!!
I am offering a course on computational quantum
dynamics. This may be of interest to scholars
of chemistry, physics or the mathematical sciences.
The course will require an introductory course
in quantum mechanics and acquaintance with the
Schrodinger equation.
The material covered will include an introduction
to time dependent quantum mechanics, and an
in depth study of techniques used in
studying large systems. The focus will be on
algorithms and techniques to treat many-body problems.
Although many of the examples studied will
have a strong chemical physics flavor, it should
still appeal to those interested primarily in
the computational aspects.
At the end of the course, you should be able to pass this
pop psychology test:
The background of this page reminds me of ...
| A |
microscopic view of budding Amoebas
|
| B |
an anatomical feature of a humanoid
|
| C |
multidimensional wavepackets with correlations
|
| D |
Timothy Leary's final thoughts
|
| E |
patterns of oil on a water surface
|
Requirements
- First graduate course in quantum chemistry
- introductory undergraduate quantum physics
Recommended Text
Quantum Mechanics in Chemistry, by Ratner and Schatz
This book will be used as an outline for the
things we will look at.
Content
Some of the following topics will be studied. The bias
of the course is flexible and is somewhat dependent on
the interests of the registered students
- nuts and bolts of the time-dependent Schrodinger equation
- perturbation theory, Golden Rule
- gaussian wavepacket dynamics, TDH approximation
- algorithms for numerical wavepacket propagation
- properties of harmonic condensed phase environments
- SPECTROSCOPY (electronic absorption, Raman) from
time-dependent calculations
-
two-state systems and electron transfer theory
- desorption/scattering from surfaces in the time domain
Projects
Course evaluation will be based weekly homework assignments
and a term paper which will be an in-depth study
on a specific topic. The bias of the project
will depend on the students interest and may
range from algorithm development to using
established codes to study a physical system
of interest.
In a couple of weeks I will have a tentative course
outline up here. This is dependent on input from
interested students, so let me know what your
interests are!!
As advertized, folks! here is the syllabus
as of 11 January.