Self-consistent eikonal treatment of electronic transitions in molecular collisions
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:6050184
We develop an eikonal treatment of electronic transitions in many-atom collisions, in which classical nuclear trajectories are self-consistently coupled to quantal electronic transitions. The treatment starts with a discussion of the electronic representations required to assure that Hamiltonian matrices are Hermitian. The amplitudes of wave functions are found to satisfy coupled equations which are expanded in powers of a local de Broglie wavelength. Time-dependent equations are transformed to derive a Hamiltonian formalism that couples nuclear positions and momenta with electronic amplitudes. Cross sections are obtained from flux conservation and also from T-matrix elements.
- Research Organization:
- Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611
- OSTI ID:
- 6050184
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 78:12; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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