Brics,  Martins

Benchmarking time-dependent renormalized natural orbital theory with exact solutions for a laser-driven model helium atom

Rostock : Universität , 2017

https://doi.org/10.18453/rosdok_id00001844

http://purl.uni-rostock.de/rosdok/id00001844

Abstract:

In this thesis a newly developed time-dependent renormalized natural orbital theory (TDRNOT) is introduced. After the derivation of the equations of motion, TDRNOT is benchmarked with the help of a numerically exactly solvable model helium atom in laser fields. It is shown that, unlike TDDFT, TDRNOT is able to describe doubly-excited states, Fano profiles in electron and absorption spectra, auto-ionization, Rabi oscillations, high harmonic generation, non-sequential ionization, and single-photon double ionization in excellent agreement with the corresponding TDSE results.

Dissertation Open Access