Excited state dynamics with quantum trajectories

Basile F E Curchod, Ursula Rothlisberger, Ivano Tavernelli*

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)

3 Citations (Scopus)

Abstract

Nuclear quantum dynamics beyond the Born-Oppenheimer approximation is performed using quantum trajectories. Within the adiabatic representation of the electronic states, NABDY (NonAdiabatic Bohmian DYnamics) is used in combination with DFT and LR-TDDFT to perform on-the-fly nonadiabatic quantum dynamics. Simple numerical test systems and current limitations of the method are discussed.

Original languageEnglish
Pages (from-to)174-177
Number of pages4
JournalChimia
Volume66
Issue number4
DOIs
Publication statusPublished - Apr 2012

Keywords

  • Born-Oppenheimer approximation
  • Linear-response time-dependent density functional theory
  • Nonadiabatic dynamics
  • Quantum trajectories

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