75 citations · 107 across the 3 of their papers we have counts for
3 papers
Topologically correct quantum nonadiabatic formalism for on-the-fly dynamics
Loic Joubert-Doriol, Janakan Sivasubramanium, Ilya G. Ryabinkin +1
On-the-fly quantum nonadiabatic dynamics for large systems greatly benefits from the adiabatic representation readily available from the electronic structure programs. However, fre…
A perturbative formalism for electronic transitions through conical intersections in a fully quadratic vibronic model
Julia S. Endicott, Loic Joubert-Doriol, Artur F. Izmaylov
We consider a fully quadratic vibronic model Hamiltonian for studying photoinduced electronic transitions through conical intersections. Using a second order perturbative approxima…
When do we need to account for the geometric phase in excited state dynamics ?
Ilya G. Ryabinkin, Loic Joubert-Doriol, Artur F. Izmaylov
We investigate the role of the geometric phase (GP) in an internal conversion process when the system changes its electronic state by passing through a conical intersection (CI). L…