activity
20152025
most citedNWChem: Past, Present, and Future

699 citations · 775 across the 12 of their papers we have counts for

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Showing physics.atom-phShow all

7 papers · 1 filter

physics.atom-ph2025

Orbital distortion and parabolic channel effects transform minima in molecular ionization probabilities into maxima

Imam S. Wahyutama, Denawakage D. Jayasinghe, Francois Mauger +2

In the tunneling regime and at sufficiently low field amplitudes, the shape of orientation-dependent molecular ionization rate curves usually resembles the shape of the ionized orb…

physics.atom-ph2024

Quantitative comparison of TDDFT-calculated HHG yields in ring-shaped organic molecules

Stephanie N. Armond, Kyle A. Hamer, Ravi Bhardwaj +4

We compare the high-harmonic-generation (HHG) yield driven by a mid-infrared laser in three organic ring-shaped molecules, calculated using time-dependent density-functional theory…

physics.atom-ph2024

Strong-field ionization with few-cycle, mid-infrared laser pulses induces a localized ionization followed by long-lasting charge migration in halogenated organic molecules

Kyle A. Hamer, Francois Mauger, Kenneth Lopata +2

We show that applying a few-femtosecond mid-infrared laser pulse parallel to the backbone of a halogenated, conjugated organic molecule induces localized ionization followed by lon…

physics.atom-ph2023★ 8 cited

Tracking Charge Migration with Frequency-Matched Strobo-Spectroscopy

Kyle A. Hamer, Aderonke S. Folorunso, Kenneth Lopata +3

We present frequency-matched strobo-spectroscopy (FMSS) of charge migration (CM) in bromobutadiyne, simulated with time-dependent density-functional theory. CM+FMSS is a pump-probe…

physics.atom-ph2022★ 12 cited

All-Electron, Density Functional-Based Method for Angle-Resolved Tunneling Ionization in the Adiabatic Regime

Imam S. Wahyutama, Denawakage D. Jayasinghe, François Mauger +3

We develop and test a method that integrates many-electron weak-field asymptotic theory (ME-WFAT) [Phys. Rev. A 89, 013421 (2014)] in the integral representation (IR) into the dens…

physics.atom-ph2022★ 15 cited

Characterizing Particle-Like Charge Migration Dynamics with High-Harmonic Sideband Spectroscopy

Kyle A. Hamer, Francois Mauger, Aderonke S. Folorunso +5

We introduce high-harmonic sideband spectroscopy (HHSS) and show that it can be a robust probe of attosecond charge migration (CM) in a halogenated carbon-chain molecule. We simula…

physics.atom-ph2015★ 8 cited

Semi-Classical Wavefunction Perspective to High-Harmonic Generation

Francois Mauger, Paul Abanador, Kenneth Lopata +2

We introduce a semi-classical wavefunction (SCWF) model for strong-field physics and attosecond science. When applied to high harmonic generation (HHG), this formalism allows one t…