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Physical Chemistry

University of Colorado, Boulder

Adiabatic

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Nonadiabatic Multielectron Dynamics In Interaction Of Molecules With Intense Laser Pulses, Andres F. Mora Jan 2018

Nonadiabatic Multielectron Dynamics In Interaction Of Molecules With Intense Laser Pulses, Andres F. Mora

Undergraduate Honors Theses

Ultrashort high intensity laser pulses have allowed for the observation of ultrafast dynamics in atoms and molecules. Due to the complexity, these multielectron systems interacting with ultrashort intense laser fields are often theoretically studied using the single active electron approximation (SAE). We present here results of simulations within Time Dependent Density Functional Theory which address the multielectron nature of the studied systems. The results exhibit multielectron effects in form of orbital coupling and non-adiabatic electron dynamics in electron localization, high harmonic generation and ionization of N+ 2 interacting with a strong laser pulse.