Ab initio simulations of ultrashort laser pulse interaction with Cl–Si (100): implications for atomic layer etching

P Wang, F Fang - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Due to the remarkable resistance of SiCl against photo-induced desorption, achieving
atomic layer etching (ALE) of Cl–Si (100) through a laser-based method has remained a …

Coulomb explosion imaging and covariance analysis of concurrent fragmentation mechanisms

TR Walmsley - 2024 - ora.ox.ac.uk
This thesis uses Coulomb explosion imaging and covariance analysis to characterise
concurrent fragmentation processes generating identical sets of products via different …

Ionization dynamics of orbitals and high-harmonic generation of N2 and CO molecules at the various XC potentials by TD-DFT

AM Koushki, M Mohsen-Nia, R Sadighi-Bonabi… - Computational and …, 2016 - Elsevier
High order harmonic generation is investigated for N 2 and CO molecules under ten-cycle
sin-squared laser pulse at 800 nm wavelength and I= 2× 10 14 W cm− 2 intensity. In order to …

Optimising laser pulses for selective vibrational excitations and photo-dissociation of the C–H bond in methane

S Rahaman, B Nath, CK Mondal - Molecular Physics, 2024 - Taylor & Francis
This paper presents a study on the optimisation of laser pulse parameters using an optimal
control theory based adaptive simulated annealing technique. The objective of this study is …

High-order harmonic generation of CO and N2 molecules under linearly-and bi circularly-polarized laser pulses by TD-DFT

AM Koushki, R Sadighi-Bonabi, M Mohsen-Nia… - Laser …, 2018 - iopscience.iop.org
We present a method for high-order harmonics generation of N 2 and CO molecules under
two-color circularly polarized counter-rotating laser pulses at frequencies of and 2. Pulse …

[HTML][HTML] Efficient photo-dissociation of CH4 and H2CO molecules with optimized ultra-short laser pulses

S Rasti, E Irani, R Sadighi-Bonabi - AIP Advances, 2015 - pubs.aip.org
The fragmentation dynamics of CH 4 and H 2 CO molecules have been studied with ultra-
short pulses at laser intensityof up to 10 15 Wcm− 2. Three dimensional molecular dynamics …

Photoionization yields in intense fs-laser fields–a systematic investigation of chirp effects

N Reusch, S Griebe, J Karges… - … für Physikalische Chemie, 2015 - degruyter.com
The femtosecond laser ionization of several small hydrocarbon molecules (methane,
ethane, propane) has been investigated as a function of the second order spectral phase …

High-order harmonic generation from CH4 and CD4 molecules in the presence of a static electric field

AM Koushki, S Sarikhani - Chemical Physics, 2021 - Elsevier
In this paper, an ab initio approach is used to study high-order harmonic generation (HHG)
from methane and its deuteriated isotopomer within the framework of time-dependent …

Selective photo-dissociative ionization of methane molecule with TDDFT study

E Irani, A Anvari, R Sadighi-Bonabi - Spectrochimica Acta Part A: Molecular …, 2017 - Elsevier
Three dimensional calculation of control dynamics for finding the optimized laser filed is
formulated using an iterative method and time-dependent density functional approach. An …

Optimal control of dissociation of nitrogen molecule with intense ultra-short laser pulse shaping

S Rasti, E Irani, R Sadighi-Bonabi - Journal of Molecular Structure, 2015 - Elsevier
The quantum optimal control theory in conjunction with time dependent density functional
theory is used to optimize the laser pulse shape for dissociation of nitrogen molecule. For …