Breakdown of the Born-Oppenheimer Approximation in Diatomic Molecules
Robert Field
No enrollment limit, no advance sign up
Participants welcome at individual sessions (series)
Prereq: 5.61 or equivalent and an interest in molecular dynamics
A lecture series on photofragmentation dynamics in diatomic molecules. The first lecture introduces terms in the Hamiltonian, especially troublesome Born-Oppenheimer breakdown terms that "cause" all intramolecular dynamics. Subsequent lectures include topics: perturbations, autoionization, predissociation, semiclassical calculation of vibrational overlap integrals, wavepacket dynamics, and the Landau-Zener picture of electronic transitions induced by crossing potential curves.
Contact: Robert Field, 6-219, 253-1489, rwfield@mit.edu
Sponsor: Chemistry
Cosponsor: Spectroscopy Lab
Introduction to the Spectroscopic Effective Hamiltonian
Robert Field
The Born-Oppenhiemer approximation and matrix elements of terms in the effective molecular Hamiltonian that violate the BO approximation. Vibration, rotation, spin-orbit, interelectronic interaction. Hund's coupling cases.
Mon Jan 3, 09-10:30am, 6-233
Spectroscopic Perturbations, Predissociation, and Autoionization
Robert Field
Introduction to dynamical processes.
Tue Jan 4, 09-10:30am, 6-233
Semiclassical methods for calculating vibrational overlap integrals
Robert Field
All coupling processes are mediated by vibrational overlap integrals, which are computed numerically. Semiclassical calculation of overlaps reveals physical factors controlling computed values: the length of the stationary phase region is controlled by the slopes of the potential curves at the intersection and the velocity in the crossing region.
Wed Jan 5, 09-10:30am, 6-233
Wavepackets and Landau-Zener
Robert Field
What happens in the vicinity of a curve crossing?
Fri Jan 7, 09-10:30am, 6-233
Latest update: 16-Nov-2004
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