Abstract
The importance of the electronic structure and multielectron responses in the ionization mechanism of diatomic molecules in intense short-pulse lasers was analyzed using an all-electron ab initio study. The contributions of inner valence electrons to the molecular multiphoton ionization (MPI) of diatomic molecules in strong laser fields were also investigated. The inner valence electron ionization was found to be related to the orbital orientation and the enhanced dipole coupling between molecular orbitals at high laser intensities. The results show that the multielectron responses of a molecule enhance or supress the ionization of individual electrons.
| Original language | English |
|---|---|
| Article number | 061402 |
| Pages (from-to) | 061402-1-061402-4 |
| Journal | Physical Review A - Atomic, Molecular, and Optical Physics |
| Volume | 70 |
| Issue number | 6 |
| DOIs | |
| State | Published - Dec 2004 |
Funding
This work is supported by the Chemical Sciences, Geosciences, and Biosciences Division of the Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy. We acknowledge the support of the ORIGIN 2400 supercomputer time by the Kansas Center for Advanced Scientific Computing.