TIME-DEPENDENT DENSITY FUNCTIONAL THEORY WITH OPTIMIZED EFFECTIVE
POTENTIAL AND SELF-INTERACTION-CORRECTION: APPLICATION TO THE STUDY OF
MOLECULAR MULTIPHOTON PROCESSES IN INTENSE PULSED LASER FIELDS

Xi Chu and Shih-I Chu*

Department of Chemistry, University of Kansas, and Kansas
Center for Advanced Scientific Computing, Lawrence, Kansas, 66045 USA

We present a new time-dependent density functional theory with optimized
effective potential and self-interaction correction for ab initio
nonperturbative treatment of multi-electron molecular multiphoton
dynamics in intense pulsed laser fields. The theory and the associated
computational method will be illustrated by the case study of
multiphoton ionization and high-order harmonic generation of H2, N2,
etc., in strong fields.

 * E-mail address: sichu@kuhub.cc.ukans.edu