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

Propagation of Waves01:07

Propagation of Waves

2.3K
When a wave propagates from one medium to another, part of it may get reflected in the first medium, and part of it may get transmitted to the second medium. In such a case, the interface of the two mediums can be considered as a boundary that is neither fixed nor free.
Consider a scenario where a wave propagates from a string of low linear mass density to a string of high linear mass density. In such a case, the reflected wave is out of phase with respect to the incident wave, however the...
2.3K
Sampling Continuous Time Signal01:11

Sampling Continuous Time Signal

192
In signal processing, a continuous-time signal can be sampled using an impulse-train sampling technique, followed by the zero-order hold method. Impulse-train sampling involves the use of a periodic impulse train, which consists of a series of delta functions spaced at regular intervals determined by the sampling period. When a continuous-time signal is multiplied by this impulse train, it generates impulses with amplitudes corresponding to the signal's values at the sampling points.
In the...
192
Wave Parameters01:10

Wave Parameters

7.5K
The simplest mechanical waves are associated with simple harmonic motion and repeat themselves for several cycles. These simple harmonic waves can be modeled using a combination of sine and cosine functions. Consider a simplified surface water wave that moves across the water's surface. Unlike complex ocean waves, in surface water waves, water moves vertically, oscillating up and down, whereas the disturbance of the wave moves horizontally through the medium. If a seagull is floating on the...
7.5K
Interference and Superposition of Waves01:07

Interference and Superposition of Waves

4.8K
When two waves of the same nature occur in the same region simultaneously, they result in interference. Interference of waves implies that the net effect of the waves is the sum of the individual waves' effects. However, it does not imply that the individual waves affect the propagation of other waves.
Interference occurs in mechanical waves, such as sound waves, waves on a string, and surface water waves. Mechanical waves correspond to the physical displacement of particles. Hence,...
4.8K
Propagation of Action Potentials01:23

Propagation of Action Potentials

4.9K
The propagation of an action potential refers to the process by which a nerve impulse, or "action potential," travels along a neuron.
Neurons (nerve cells) have a resting membrane potential, with a slightly negative charge inside compared to outside. This is maintained by ion channels, such as sodium (Na+) and potassium (K+) channels, which control the flow of ions. When a stimulus, like a touch or a signal from another neuron, triggers the neuron, sodium channels open, allowing sodium ions to...
4.9K
Bandpass Sampling01:17

Bandpass Sampling

147
In signal processing, bandpass sampling is an effective technique for sampling signals that have most of their energy concentrated within a narrow frequency band. This type of signal is known as a bandpass signal. The key principle of bandpass sampling involves sampling the signal at a rate that is greater than twice the signal's bandwidth to prevent aliasing.
A bandpass signal has a spectrum with a lower frequency limit, denoted as ω1, and an upper frequency limit, denoted as ω2....
147

You might also read

Related Articles

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

Sort by
Same author

Energetics of Noncovalent Interactions of Protein-Ligand Complexes for Drug Discovery.

Journal of chemical information and modeling·2026
Same author

Toward Hydrogen Isotope Separations through Strong Hydrogen Adsorption at Open Copper(I) Sites in an Ultramicroporous Metal-Organic Framework.

Journal of the American Chemical Society·2026
Same author

A CPD-enabled low-scaling environment solver in a coupled cluster based static quantum embedding theory.

The Journal of chemical physics·2026
Same author

Consistent inclusion of triple substitutions within a coupled cluster based static quantum embedding theory.

The Journal of chemical physics·2026
Same author

An Improved Size-Consistent Second-Order Brillouin-Wigner Perturbation Theory: Which Desirable Properties Are Compatible with Unconditional Size-Consistency and Optimized Chemical Accuracy?

Journal of chemical theory and computation·2026
Same author

Origins of the selectivity of late transition metals of Group 9 and Group 10 for oxidative addition of C-H <i>vs.</i> C-Cl bonds.

Chemical science·2026

Related Experiment Video

Updated: May 20, 2025

Continuous-Wave Propagation Channel-Sounding Measurement System - Testing, Verification, and Measurements
09:36

Continuous-Wave Propagation Channel-Sounding Measurement System - Testing, Verification, and Measurements

Published on: June 25, 2021

2.9K

Real-time propagation of adaptive sampling selected configuration interaction wave functions.

Avijit Shee1, Zhen Huang2, Martin Head-Gordon1

  • 1Department of Chemistry, University of California, Berkeley, California 94720, USA.

The Journal of Chemical Physics
|March 24, 2025
PubMed
Summary

A new time-dependent adaptive sampling configuration interaction (TD-ASCI) method accurately simulates strongly correlated molecular dynamics. This method efficiently computes absorption spectra, offering a stable and reliable approach for complex systems.

More Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.7K
Real-Time Proxy-Control of Re-Parameterized Peripheral Signals using a Close-Loop Interface
11:54

Real-Time Proxy-Control of Re-Parameterized Peripheral Signals using a Close-Loop Interface

Published on: May 8, 2021

4.3K

Related Experiment Videos

Last Updated: May 20, 2025

Continuous-Wave Propagation Channel-Sounding Measurement System - Testing, Verification, and Measurements
09:36

Continuous-Wave Propagation Channel-Sounding Measurement System - Testing, Verification, and Measurements

Published on: June 25, 2021

2.9K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.7K
Real-Time Proxy-Control of Re-Parameterized Peripheral Signals using a Close-Loop Interface
11:54

Real-Time Proxy-Control of Re-Parameterized Peripheral Signals using a Close-Loop Interface

Published on: May 8, 2021

4.3K

Area of Science:

  • Quantum chemistry
  • Computational physics
  • Molecular dynamics

Background:

  • Strongly correlated systems present significant challenges in accurately describing their quantum dynamics.
  • Existing methods often struggle with stability and computational cost for long-time propagation.

Purpose of the Study:

  • To introduce a novel time propagation method, time-dependent adaptive sampling configuration interaction (TD-ASCI), for simulating strongly correlated systems.
  • To assess the accuracy of TD-ASCI by comparing computed absorption spectra with established methods.

Main Methods:

  • Development and application of the time-dependent adaptive sampling configuration interaction (TD-ASCI) method.
  • Utilizing the short iterative Lanczos method for unitary and stable time integration.
  • Employing an efficient Fourier transform scheme based on the ESPRIT algorithm for spectral analysis.

Main Results:

  • TD-ASCI successfully evaluated time-domain correlation functions for molecular systems.
  • Computed dipole-allowed absorption spectra showed good agreement with reference methods.
  • The ESPRIT-based Fourier transform reduced computation time for spectral analysis.

Conclusions:

  • The TD-ASCI method provides an accurate and efficient approach for studying the dynamics of strongly correlated molecular systems.
  • This method offers a stable and norm-conserving scheme for long-time propagation.
  • TD-ASCI is a promising tool for calculating spectroscopic properties of complex quantum systems.