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

Variation: Normal Distribution, Range, and Standard Deviation02:32

Variation: Normal Distribution, Range, and Standard Deviation

28.2K
In the field of psychology, there are several ways to organize measurements of a trait, feature, or characteristic (i.e., variables). Qualitative data, such as ethnicity, can be tabulated into a frequency count to provide information about the proportion, as well as the variety of groups in a sample or population. On the other hand, researchers can perform a wider set of calculations on quantitative data. The mean, mode, and median, for instance, are central tendency measures to identify a...
28.2K
Fisher's Exact Test01:08

Fisher's Exact Test

1.2K
Fisher's exact test is a statistical significance test widely used to analyze 2x2 contingency tables, particularly in situations where sample sizes are small. Unlike the chi-squared test, which approximates P-values and assumes minimum expected frequencies of at least five in each cell, Fisher's exact test calculates the exact probability (P-value) of observing the data or more extreme results under the null hypothesis. This feature makes it especially valuable when the assumptions of...
1.2K
Hybrid Zones02:29

Hybrid Zones

21.9K
Hybrid zones are narrow regions where two closely related species interact, mate, and produce hybrids. Relative to either parent species, hybrids may possess distinct phenotypic or genetic differences that impact their survival and reproductive success. The genetic variances introduced by hybridization influence species diversity and speciation processes within the hybrid zone.
21.9K
Conservative Site-specific Recombination and Phase Variation02:53

Conservative Site-specific Recombination and Phase Variation

6.8K
Because the DNA segments are cut and reorganized in a direction-specific manner, site-specific recombination has emerged as an efficient genetic engineering technique. Flippase and Cyclization recombinases or Flp and Cre, respectively, are two members of the tyrosine recombinase family derived from bacteriophages, that are used to mediate site-specific DNA insertions, deletions, and targeted expression of proteins in mammalian cell lines.
The recognition sites for Cre recombinase called LoxP...
6.8K
What is Variation?01:14

What is Variation?

18.5K
Apart from the measures of central tendency, distribution, outliers, and the changing characteristics of data with time, an important characteristic of any data set is its variation or spread. In some data sets, the data values are concentrated closely near the mean; in others, the data values are more widely spread out from the mean.
The range, standard deviation, standard error, and variance are the different measures of variation.
Range: The range is the difference between its maximum and...
18.5K
Range00:59

Range

14.2K
The range is one of the measures of variation. It can be defined as the difference between a dataset's highest and lowest values. For example, in the study of seven 16-ounce soda cans, the filled volume of soda was measured, thus producing the following amount (in ounces) of soda:
15.9; 16.1; 15.2; 14.8; 15.8; 15.9; 16.0; 15.5
Measurements of the amount of soda in a 16-ounce can vary since different subjects record these measurements or since the exact amount - 16 ounces of liquid, was not...
14.2K

You might also read

Related Articles

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

Sort by
Same author

Thiol post-translational modifications modulate allosteric regulation of the OpcA-G6PDH complex through conformational gate control.

Protein science : a publication of the Protein Society·2026
Same author

Nuclear Spin-Spin Coupling Constants from Auxiliary Density Functional Theory.

Journal of chemical theory and computation·2026
Same author

Modeling the behavior of concentrated aqueous HNO3 using machine learning interatomic potentials.

The Journal of chemical physics·2026
Same author

A Meta-Generalized Gradient Approximation for the Cavity-Dependent Exchange-Correlation Interaction in Strongly Coupled Light-Matter Systems.

The journal of physical chemistry letters·2025
Same author

Quantum Electrodynamics Coupled-Cluster at Scale: High-Performance Implementation for Complex Systems.

Journal of chemical theory and computation·2025
Same author

A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits.

Journal of chemical theory and computation·2025
Same journal

Complementing Onsager's Conductivity Theory by Grotthuss Mechanism Mitigation via Ion-Induced Depletion of Hydrogen-Bond-Donating Water.

Journal of chemical theory and computation·2026
Same journal

Microscopic Stress in Biomembranes: A Perspective on Key Concepts, Methods, and Applications.

Journal of chemical theory and computation·2026
Same journal

Analytic Nuclear Gradients Including Oriented External Electric Fields in a Molecule-Fixed Frame.

Journal of chemical theory and computation·2026
Same journal

Knowledge Distillation of a Protein Language Model Yields a Foundational Implicit Solvent Model.

Journal of chemical theory and computation·2026
Same journal

Generalizable Protein Folding Pathway Exploration with DA2-GRASP: Extending Beyond Miniproteins.

Journal of chemical theory and computation·2026
Same journal

Improving PCM in Protic Media: Markov State Models for TD-DFT Calculations.

Journal of chemical theory and computation·2026
See all related articles

Related Experiment Video

Updated: Feb 3, 2026

Non-radioactive in situ Hybridization Protocol Applicable for Norway Spruce and a Range of Plant Species
11:56

Non-radioactive in situ Hybridization Protocol Applicable for Norway Spruce and a Range of Plant Species

Published on: April 17, 2009

21.5K

Range-Separated Hybrid Functionals with Variational Fitted Exact Exchange.

Francisco A Delesma1, Gerald Geudtner2, Daniel Mejía-Rodríguez2

  • 1Programa de Doctorado en Nanociencias y Nanotecnología , CINVESTAV, Av. Instituto Politécnico Nacional , 2508, A.P. 14-740, Ciudad de México 07000 , México.

Journal of Chemical Theory and Computation
|October 24, 2018
PubMed
Summary
This summary is machine-generated.

This study introduces a new algorithm for calculating range-separated hybrid density functionals using Gaussian orbitals. The method optimizes computational performance by eliminating four-center integrals and improving efficiency.

More Related Videos

Ion Exchange Chromatography IEX Coupled to Multi-angle Light Scattering MALS for Protein Separation and Characterization
10:41

Ion Exchange Chromatography IEX Coupled to Multi-angle Light Scattering MALS for Protein Separation and Characterization

Published on: April 5, 2019

18.8K
Hybrid Clear/Blue Native Electrophoresis for the Separation and Analysis of Mitochondrial Respiratory Chain Supercomplexes
11:25

Hybrid Clear/Blue Native Electrophoresis for the Separation and Analysis of Mitochondrial Respiratory Chain Supercomplexes

Published on: May 19, 2019

14.4K

Related Experiment Videos

Last Updated: Feb 3, 2026

Non-radioactive in situ Hybridization Protocol Applicable for Norway Spruce and a Range of Plant Species
11:56

Non-radioactive in situ Hybridization Protocol Applicable for Norway Spruce and a Range of Plant Species

Published on: April 17, 2009

21.5K
Ion Exchange Chromatography IEX Coupled to Multi-angle Light Scattering MALS for Protein Separation and Characterization
10:41

Ion Exchange Chromatography IEX Coupled to Multi-angle Light Scattering MALS for Protein Separation and Characterization

Published on: April 5, 2019

18.8K
Hybrid Clear/Blue Native Electrophoresis for the Separation and Analysis of Mitochondrial Respiratory Chain Supercomplexes
11:25

Hybrid Clear/Blue Native Electrophoresis for the Separation and Analysis of Mitochondrial Respiratory Chain Supercomplexes

Published on: May 19, 2019

14.4K

Area of Science:

  • Computational chemistry
  • Quantum chemistry
  • Theoretical chemistry

Background:

  • Density functional theory (DFT) is a powerful quantum mechanical modeling method.
  • Range-separated hybrid (RSH) functionals offer improved accuracy for certain chemical properties.
  • Efficient computation of RSH functionals, especially the exact exchange part, remains a challenge.

Purpose of the Study:

  • To develop a computationally efficient algorithm for calculating range-separated hybrid density functionals.
  • To implement a variationally fitted long-range exact exchange (LREx) method within the linear combination of Gaussian type orbitals (LCGTO) approximation.
  • To analyze the accuracy and performance of RSH functionals computed with the new LREx algorithm.

Main Methods:

  • Development of a variationally fitted long-range exact exchange algorithm.
  • Derivation of LCGTO energy and gradient expressions free of four-center integrals.
  • Utilization of modified three-center integral recurrence relations for computational optimization.
  • Parallel implementation of the algorithm for enhanced performance.

Main Results:

  • The proposed algorithm successfully computes range-separated hybrid density functionals.
  • LCGTO energy and gradient expressions are optimized by avoiding four-center integrals.
  • The accuracy and performance of selected RSH functionals are evaluated.
  • Benchmarking of a parallel implementation demonstrates computational efficiency.

Conclusions:

  • The developed variationally fitted LREx algorithm provides an efficient route for computing RSH functionals.
  • The method offers significant computational advantages by eliminating expensive four-center integrals.
  • This approach enables more accurate and feasible calculations of electronic properties using RSH functionals.