Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Fermi Level Dynamics01:12

Fermi Level Dynamics

453
The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
453
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

54.4K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
54.4K
The de Broglie Wavelength02:32

The de Broglie Wavelength

31.5K
In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...
31.5K
Free Energy Changes for Nonstandard States03:25

Free Energy Changes for Nonstandard States

12.5K
The free energy change for a process taking place with reactants and products present under nonstandard conditions (pressures other than 1 bar; concentrations other than 1 M) is related to the standard free energy change according to this equation:
12.5K
First Law: Particles in One-dimensional Equilibrium01:10

First Law: Particles in One-dimensional Equilibrium

7.5K
Newton's first law of motion states that a body at rest remains at rest, or if in motion, remains in motion at constant velocity, unless acted on by a net external force. It also states that there must be a cause for any change in velocity (a change in either magnitude or direction) to occur. This cause is a net external force. For example, consider what happens to an object sliding along a rough horizontal surface. The object quickly grinds to a halt, due to the net force of friction. If...
7.5K
First Law: Particles in Two-dimensional Equilibrium01:18

First Law: Particles in Two-dimensional Equilibrium

11.2K
Recall that a particle in equilibrium is one for which the external forces are balanced. Static equilibrium involves objects at rest, and dynamic equilibrium involves objects in motion without acceleration; but it is important to remember that these conditions are relative. For instance, an object may be at rest when viewed from one frame of reference, but that same object would appear to be in motion when viewed by someone moving at a constant velocity.
Newton's first law tells us about...
11.2K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Relaxation dynamics through a conical intersection: Quantum and quantum-classical studies.

The Journal of chemical physics·2021
Same author

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems.

The Journal of chemical physics·2020
Same author

Nonadiabatic Electron Dynamics in Tunneling Junctions: Lattice Exchange-Correlation Potential.

Journal of chemical theory and computation·2019
Same author

Quantum impurity models coupled to Markovian and non-Markovian baths.

The Journal of chemical physics·2019

Related Experiment Video

Updated: Nov 11, 2025

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

8.8K

Quantum-classical nonadiabatic dynamics of Floquet driven systems.

Marco Schirò1, Florian G Eich2, Federica Agostini3

  • 1JEIP, USR 3573 CNRS, Collège de France, PSL Research University, 11 Place Marcelin Berthelot, 75321 Paris Cedex 05, France.

The Journal of Chemical Physics
|March 23, 2021
PubMed
Summary

We present a new method for simulating molecular dynamics in excited states under periodic external drives. This approach combines exact factorization and Floquet formalisms for accurate quantum dynamics, crucial for understanding light-driven chemical reactions.

More Related Videos

Cooling an Optically Trapped Ultracold Fermi Gas by Periodical Driving
11:21

Cooling an Optically Trapped Ultracold Fermi Gas by Periodical Driving

Published on: March 30, 2017

7.7K
Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
09:23

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators

Published on: May 30, 2014

14.8K

Related Experiment Videos

Last Updated: Nov 11, 2025

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

8.8K
Cooling an Optically Trapped Ultracold Fermi Gas by Periodical Driving
11:21

Cooling an Optically Trapped Ultracold Fermi Gas by Periodical Driving

Published on: March 30, 2017

7.7K
Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators
09:23

Quantum State Engineering of Light with Continuous-wave Optical Parametric Oscillators

Published on: May 30, 2014

14.8K

Area of Science:

  • Quantum Chemistry
  • Theoretical Chemistry
  • Computational Chemistry

Background:

  • Simulating excited-state molecular dynamics is crucial for understanding photochemical processes.
  • Treating electron-nuclear coupling in nonadiabatic regimes requires advanced theoretical frameworks.
  • Time-periodic external drives are common in photochemistry and spectroscopy.

Purpose of the Study:

  • To develop a trajectory-based computational method for excited-state molecular dynamics under periodic external fields.
  • To combine the exact-factorization and Floquet formalisms for accurate quantum dynamics simulations.
  • To extend existing mixed quantum-classical schemes to periodically driven systems.

Main Methods:

  • Developed a trajectory-based approach integrating the exact-factorization formalism with the Floquet formalism.
  • Formulated the theory starting from the molecular time-dependent Schrödinger equation with a periodic drive.
  • Approximated quantum dynamics by coupling classical-like nuclear trajectories with electronic dynamics in the Floquet basis.
  • Extended the coupled-trajectory mixed quantum-classical (CT-MQC) scheme for periodically driven systems.

Main Results:

  • The developed algorithm successfully simulates quantum dynamics of electron-nuclear systems under periodic drives.
  • The method was validated on an exactly solvable model system with varying field intensities.
  • The approach provides a computationally tractable way to study nonadiabatic effects in driven systems.

Conclusions:

  • The trajectory-based, exact-factorization-Floquet approach is a powerful tool for excited-state molecular dynamics under periodic driving.
  • This method offers a significant advancement for simulating light-matter interactions in chemistry and physics.
  • The extension of CT-MQC schemes to driven systems opens new avenues for theoretical investigations.