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

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

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. Schrödinger...
The de Broglie Wavelength02:32

The de Broglie Wavelength

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...
Classical Mechanics01:12

Classical Mechanics

Classical mechanics provides a mathematical description of the motion of bodies under the influence of forces. A key principle within this field is the work-energy theorem, which establishes a bridge between the net work done on an object and its kinetic energy.The work-energy theorem states that the net work done on a particle by all the forces acting on it equals the change in its kinetic energy.In simple terms, the work-energy theorem is a method to analyze the effects of forces on an...
Fermi Level Dynamics01:12

Fermi Level Dynamics

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...
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

Overview of Molecular Orbital Theory

You might also read

Related Articles

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

Sort by
Same author

Small matrix path integral propagation for long-time quantum dynamics of multistate systems in one and two dimensions.

The Journal of chemical physics·2026
Same author

Frustration Protection of Exciton-Vibration Thermodynamics and Transfer.

The journal of physical chemistry letters·2025
Same author

Small matrix path integral in imaginary time.

The Journal of chemical physics·2025
Same author

Quantum dynamics of dissipative two-level systems and intradimer excitation energy transfer in the presence of static disorder.

The Journal of chemical physics·2025
Same author

Discrete Generalized Quantum Master Equations.

Journal of chemical theory and computation·2025
Same author

Coherence in Chemistry: Foundations and Frontiers.

Chemical reviews·2024
Same journal

Vibrational and Structural Properties of Aqueous H<sub>2</sub>SO<sub>4</sub> and Na<sub>2</sub>SO<sub>4</sub> Systems from Ambient to Supercritical Conditions: A Comparative Study between GGA(-D3) and r2SCAN Functionals.

The journal of physical chemistry. A·2026
Same journal

The Sigma Ring and Other Distinctive Features of Surface Potentials of Group 1 Systems.

The journal of physical chemistry. A·2026
Same journal

Modeling DOTA Decarboxylation in the Context of α-Radiolysis Using DFT Calculations.

The journal of physical chemistry. A·2026
Same journal

Mode-Selective Dual-Level Vibrational Perturbation Theory Assisted by Machine Learning for Rotational and Vibrational Spectra of Benzoic Acid and Aspirin.

The journal of physical chemistry. A·2026
Same journal

On the Nonparametric Diabatization of Coupled Electronic States.

The journal of physical chemistry. A·2026
Same journal

Stability of Some Ternary 13-Atom Icosahedral Clusters Assessed with Geometric, Electronic, and Thermodynamic Criteria.

The journal of physical chemistry. A·2026
See all related articles

Related Experiment Video

Updated: Jun 24, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Mixed quantum and forward-backward semiclassical dynamics.

Ed Bukhman1, Nancy Makri

  • 1Department of Chemistry, University of Illinois, Urbana, Illinois 61801, USA.

The Journal of Physical Chemistry. A
|March 26, 2009
PubMed
Summary
This summary is machine-generated.

We introduce quantum-Forward-Backward Semiclassical Dynamics (FBSD) to simulate quantum tunneling. This new method accurately models proton and electron transfer dynamics in condensed phases and biological systems.

Related Experiment Videos

Last Updated: Jun 24, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Area of Science:

  • Chemical Physics
  • Quantum Dynamics
  • Computational Chemistry

Background:

  • Forward-Backward Semiclassical Dynamics (FBSD) accurately describes short-time dynamics in low-temperature fluids.
  • A key limitation of FBSD is its inability to capture purely quantum mechanical effects like tunneling.

Purpose of the Study:

  • To address the shortcomings of FBSD by incorporating quantum mechanical effects.
  • To develop a quantum-Forward-Backward Semiclassical Dynamics (q-FBSD) scheme for enhanced dynamical simulations.

Main Methods:

  • The quantum-FBSD scheme evolves quantum particles using quantum propagation.
  • The evolution is governed by a time-dependent potential derived from classical solvent trajectories.
  • Solvent phase space distributions are determined using FBSD relations.

Main Results:

  • Numerical tests on a dissipative two-level system demonstrated q-FBSD's capability.
  • The method provided a semiquantitative description of quenched tunneling oscillations.
  • This indicates the potential for accurate simulation of quantum phenomena.

Conclusions:

  • The quantum-FBSD methodology offers a significant advancement over traditional FBSD.
  • It is well-suited for simulating proton and electron transfer in condensed and biological environments.
  • This approach holds promise for future research in quantum dynamics and reaction mechanisms.