3 papers
physics.chem-ph2020
The Shape of the Electric Dipole Function Determines the Sub-Picosecond Dynamics of Anharmonic Vibrational Polaritons
Johan F. Triana, Federico J. Hernández, Felipe Herrera
We develop a fully quantum mechanical methodology to describe the static properties and the dynamics of a single anharmonic vibrational mode interacting with a quantized infrared c…
physics.comp-ph2019
A real-time time-dependent density functional tight-binding implementation for semiclassical excited state electron-nuclear dynamics and pump-probe spectroscopy simulations
Franco P. Bonafé, Bálint Aradi, Ben Hourahine +4
The increasing need to simulate the dynamics of photoexcited molecular and nanosystems in the sub-picosecond regime demands new efficient tools able to describe the quantum nature…
physics.chem-ph2019
Multi-level quantum Rabi model for anharmonic vibrational polaritons
Federico Hernández, Felipe Herrera
We propose a cavity QED approach to describe light-matter interaction between an individual anharmonic molecular vibration and an infrared cavity field. Starting from a generic Mor…