122 citations · 438 across the 18 of their papers we have counts for
18 papers
Unexpected dipole instabilities in small molecules after ultrafast XUV irradiation
Paul-Gerhard Reinhard, Daniel Dundas, Phuong Mai Dinh +2
We investigate the depletion of single-electron states in small molecules under the influence of very short XUV pulses. In N, for a certain window of XUV energies around 50 eV,…
Driven Liouville-von Neumann Equation for Quantum Transport and Multiple-Probe Green's Functions
Francisco Ramírez, Daniel Dundas, Cristián G. Sánchez +2
The so called Driven Liouville-von Neumann equation is a dynamical formulation to simulate a voltage bias across a molecular system and to model a time-dependent current in a grand…
Probing the role of excited states in ionization of acetylene
Daniel Dundas, Peter Mulholland, Abigail Wardlow +1
Ionization of acetylene by linearly-polarized, vacuum ultraviolet (VUV) laser pulses is modelled using time-dependent density functional theory. Several laser wavelengths are consi…
High-order harmonic generation from highly-excited states in acetylene
Peter Mulholland, Daniel Dundas
High-order harmonic generation (HHG) from aligned acetylene molecules interacting with mid infra-red (IR), linearly polarized laser pulses is studied theoretically using a mixed qu…
High-order-harmonic generation in benzene with linearly and circularly polarised laser pulses
Abigail Wardlow, Daniel Dundas
High harmonic generation in benzene is studied using a mixed quantum-classical approach in which the electrons are described using time-dependent density functional theory while th…
Non-conservative current-driven dynamics: beyond the nanoscale
Brian Cunningham, Tchavdar N. Todorov, Daniel Dundas
Long metallic nanowires combine crucial factors for non-conservative current-driven atomic mo- tion. These systems have degenerate vibrational frequencies, clustered about a Kohn a…