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

Region of Convergence of Laplace Tarnsform01:20

Region of Convergence of Laplace Tarnsform

512
The Region of Convergence (ROC) is a fundamental concept in signal processing and system analysis, particularly associated with the Laplace transform. The ROC represents an area in the complex plane where the Laplace transform of a given signal converges, determining the transform's applicability and utility.
Consider a decaying exponential signal that begins at a specific time. When deriving its Laplace transform, the time-domain variable is replaced with a complex variable. This...
512
Inverse z-Transform by Partial Fraction Expansion01:20

Inverse z-Transform by Partial Fraction Expansion

308
The inverse z-transform is a crucial technique for converting a function from its z-domain representation back to the time domain. One effective method for finding the inverse z-transform is the Partial Fraction Method, which involves decomposing a function into simpler fractions with distinct coefficients. These fractions correspond to known z-transform pairs, facilitating the inverse transformation process.
To begin the process, the poles of the function are identified and the function is...
308
Compacting Factor test01:22

Compacting Factor test

125
The compacting factor test is a method used to assess the workability of concrete. It is  especially suitable for concrete mixes containing aggregates up to one and a half inches in size. This test involves specialized equipment consisting of two truncated cone-shaped hoppers and a cylinder, all with polished interior surfaces to minimize friction.
The procedure begins by placing concrete into the upper hopper without any compaction. Once filled, the bottom door of this hopper is opened,...
125
Convolution Properties I01:20

Convolution Properties I

142
Convolution computations can be simplified by utilizing their inherent properties.
The commutative property reveals that the input and the impulse response of an LTI (Linear Time-Invariant) system can be interchanged without affecting the output:
142
Properties of DTFT I01:24

Properties of DTFT I

378
In signal processing, Discrete-Time Fourier Transforms (DTFTs) play a critical role in analyzing discrete-time signals in the frequency domain. Various properties of the DTFTs such as linearity, time-shifting, frequency-shifting, time reversal, conjugation, and time scaling help understand and manipulate these signals for different applications.
The linearity property of DTFTs is fundamental. If two discrete-time signals are multiplied by constants a and b respectively, and then combined to...
378
Vector Algebra: Method of Components01:08

Vector Algebra: Method of Components

13.8K
It is cumbersome to find the magnitudes of vectors using the parallelogram rule or using the graphical method to perform mathematical operations like addition, subtraction, and multiplication. There are two ways to circumvent this algebraic complexity. One way is to draw the vectors to scale, as in navigation, and read approximate vector lengths and angles (directions) from the graphs. The other way is to use the method of components.
In many applications, the magnitudes and directions of...
13.8K

You might also read

Related Articles

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

Sort by
Same author

An Algebraic-Diagrammatic Construction for Vertex Corrections to the <i>GW</i> Self-Energy.

The journal of physical chemistry letters·2026
Same author

Connection between <i>GW</i> and Extended Coupled Cluster.

Journal of chemical theory and computation·2026
Same author

Reference Energies for Non-Relativistic Core Ionization Potentials.

Journal of chemical theory and computation·2026
Same author

Correction to "Excited-State Absorption: Reference Oscillator Strengths, Wave Function, and TDDFT Benchmarks".

Journal of chemical theory and computation·2026
Same author

QMCkl: A kernel library for quantum Monte Carlo applications.

The Journal of chemical physics·2026
Same author

Electron-Induced Fragmentation Dynamics of 1-Methylpyrene (C<sub>17</sub>H<sub>12</sub>) Dications and Trications: C<sub>2</sub>H<sub><i>x</i></sub><sup><i>q</i>+</sup> Release Pathways.

The journal of physical chemistry. A·2026

Related Experiment Video

Updated: Jun 15, 2025

Confocal Microscopy Reveals Cell Surface Receptor Aggregation Through Image Correlation Spectroscopy
06:51

Confocal Microscopy Reveals Cell Surface Receptor Aggregation Through Image Correlation Spectroscopy

Published on: August 2, 2018

7.1K

Compactification of determinant expansions via transcorrelation.

Abdallah Ammar1, Anthony Scemama1, Pierre-François Loos1

  • 1Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, Toulouse, France.

The Journal of Chemical Physics
|August 22, 2024
PubMed
Summary

The transcorrelated (TC) version of selected configuration interaction (SCI) significantly reduces computational cost and accelerates energy convergence for electronic structure calculations. This method improves accuracy by compacting the determinant space, especially with larger basis sets.

More Related Videos

Dual-Color Fluorescence Cross-Correlation Spectroscopy to Study Protein-Protein Interaction and Protein Dynamics in Live Cells
14:12

Dual-Color Fluorescence Cross-Correlation Spectroscopy to Study Protein-Protein Interaction and Protein Dynamics in Live Cells

Published on: December 11, 2021

5.2K
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

8.9K

Related Experiment Videos

Last Updated: Jun 15, 2025

Confocal Microscopy Reveals Cell Surface Receptor Aggregation Through Image Correlation Spectroscopy
06:51

Confocal Microscopy Reveals Cell Surface Receptor Aggregation Through Image Correlation Spectroscopy

Published on: August 2, 2018

7.1K
Dual-Color Fluorescence Cross-Correlation Spectroscopy to Study Protein-Protein Interaction and Protein Dynamics in Live Cells
14:12

Dual-Color Fluorescence Cross-Correlation Spectroscopy to Study Protein-Protein Interaction and Protein Dynamics in Live Cells

Published on: December 11, 2021

5.2K
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

8.9K

Area of Science:

  • Computational Chemistry
  • Quantum Chemistry
  • Electronic Structure Theory

Background:

  • Selected configuration interaction (SCI) methods offer advantages over full CI but still exhibit exponential computational scaling.
  • Inaccuracies in describing electron correlation at short distances slow down energy convergence with basis set size.

Purpose of the Study:

  • To investigate the efficacy of non-Hermitian, transcorrelated (TC) SCI for improving computational efficiency and accuracy.
  • To assess the impact of TC-SCI on determinant space size and energy convergence rates.
  • To explore the relationship between correlation factor accuracy and TC-SCI performance.

Main Methods:

  • Application of non-Hermitian, transcorrelated (TC) selected configuration interaction (SCI) algorithms.
  • Systematic investigation using small molecular systems.
  • Utilizing increasingly large one-electron basis sets.

Main Results:

  • TC-SCI significantly compacts the determinant space compared to conventional SCI.
  • Achieves desired accuracy with a reduced number of determinants.
  • Demonstrates accelerated convergence of electronic energy with increasing basis set size.

Conclusions:

  • TC-SCI offers a computationally efficient and accurate approach for electronic structure calculations.
  • The accuracy of the correlation factor is crucial for the observed improvements in determinant space compression and energy convergence.
  • TC-SCI shows promise for tackling larger and more complex quantum chemistry problems.