Quantum Control of Diatomic Molecular Processes
Abstract
We report coherent control calculations of heavy diatomic molecules, K2 and I_2, using short, shaped laser pulses to excite and probe various electronic and vibrational states. The solution of the time- dependent Schroedinger equation, which contains both molecular and radiation field components, proceeds through two independent computational prescriptions: discrete variable representation and real-space product propagation. We discuss improvements in both techniques that considerably enhance performance. Attention focuses on transitions to excited electronic states, subsequently ionized by a probe frequency. The temporal behavior of the photoelectrons provides insight into the behavior of the excited wavepacket. Dependencies on various parameters such as number and type of states and pulse shape are examined. Bound-bound and bound-free transition moments are determined from large-scale molecular structure and electron-molecule collision programs. Sensitivity to the accuracy of these moments as well as to the discrete representation of the photo-electron wavefunction are discussed. Other mechanisms such as rotation, dissociation, and auto-ionization will also be addressed.
- Publication:
-
APS April Meeting Abstracts
- Pub Date:
- April 1997
- Bibcode:
- 1997APS..APR.N1812C