In this chapter, we review the recent new developments in time-dependent density functional (TDDFT) methods for treatment of dynamics of many-electron molecules in intense laser fields. We discuss some recent development of TDDFT with optimized effective potential (OEP) and self-interaction-correction (SIC) for many-electron systems which allows the use of orbital-independent single-particle local potential with correct asymptotic behavior. We also describe several numerical techniques recently developed for efficient and high-precision treatment of the time-dependent Kohn-Sham equations. The usefulness of these procedures is illustrated by a few case studies of multiphoton processes in diatomic and triatomic (CO2) molecules, including multiphoton ionization and high-order harmonic generation.
Original languageEnglish
Title of host publicationTheoretical and Computational Developments in Modern Density Functional Theory / Ed. A.K.Roy (Physics Research and Technology)
PublisherNova Science Publishers, Inc.
Pages611, 357-390
ISBN (Print)978-1-61942-779-2
StatePublished - 2012

    Research areas

  • time-dependent density functional theory, multielectron molecules, multiphoton ionization, high-order harmonic generation

ID: 4599024