4 papers
Localized intrinsic bond orbitals decode correlated charge migration dynamics
Imam S. Wahyutama, Madhumita Rano, Henrik R. Larsson
For decades, scientists have studied the intricate charge migration dynamics, where after ionization a localized charge distribution ("hole") migrates across the molecule on a femt…
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…
All-Electron Molecular Tunnel Ionization Based on the Weak-Field Asymptotic Theory in the Integral Representation
Imam S. Wahyutama, Denawakage D. Jayasinghe, Francois Mauger +2
Tunnel ionization (TI) underlies many important ultrafast processes, such as high-harmonic generation and strong-field ionization. Among the existing theories for TI, many-electron…
Simulating real-time molecular electron dynamics efficiently using the time-dependent density matrix renormalization group
Imam S. Wahyutama, Henrik R. Larsson
Compared to ground state electronic structure optimizations, accurate simulations of molecular real-time electron dynamics are usually much more difficult to perform. To simulate e…