15 citations · 28 across the 3 of their papers we have counts for
8 papers
The moving crude adiabatic alternative to the adiabatic representation in excited state dynamics
Rosa Maskri, Loïc Joubert-Doriol
The choice of the electronic representation in on-the-fly quantum dynamics is crucial. The adiabatic representation is appealing since adiabatic states are readily available from q…
Nonadiabatic Quantum Dynamics with Frozen-Width Gaussians
Loïc Joubert-Doriol, Artur F. Izmaylov
We review techniques for simulating fully quantum nonadiabatic dynamics using the frozen-width moving Gaussian basis functions to represent the nuclear wavefunction. A choice of th…
Exploring vibrational ladder climbing in vibronic coupling models: Toward experimental observation of a geometric phase signature of a conical intersection
Hazem Daoud, Loic Joubert-Doriol, Artur F. Izmaylov +1
Conical intersections (CIs) have been widely studied using spectroscopic techniques. However, CIs have mainly been identified by rapid internal conversion transitions that take pla…
Variational nonadiabatic dynamics in the moving crude adiabatic representation: Further merging of nuclear dynamics and electronic structure
Loïc Joubert-Doriol, Artur F. Izmaylov
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of ele…
Geometric phase effects in excited state dynamics through a conical intersection in large molecules: N-dimensional linear vibronic coupling model study
Jiaru Li, Loïc Joubert-Doriol, Artur F. Izmaylov
We investigate geometric phase (GP) effects in nonadiabatic transitions through a conical intersection (CI) in an N-dimensional linear vibronic coupling (ND-LVC) model. This model…
Quantum Nonadiabatic Cloning of Entangled Coherent States
Artur F. Izmaylov, Loïc Joubert-Doriol
We propose a systematic approach to the basis set extension for nonadiabatic dynamics of entangled combination of nuclear coherent states (CSs) evolving according to the time-depen…