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

Density00:56

Density

18.9K
Density is an important characteristic of substances, crucial in determining whether an object sinks or floats in a fluid. Its SI unit is kg/m3, and its cgs unit is g/cm3. The density of an object helps in identifying its composition, and also reveals information about the phase of the matter and its substructure. The densities of liquids and solids are roughly comparable, consistent with the fact that their atoms are in close contact. However, gases have much lower densities than liquids and...
18.9K
Van der Waals Equation01:10

Van der Waals Equation

6.1K
The ideal gas law is an approximation that works well at high temperatures and low pressures. The van der Waals equation of state (named after the Dutch physicist Johannes van der Waals, 1837−1923) improves it by considering two factors.
First, the attractive forces between molecules, which are stronger at higher densities and reduce the pressure, are considered by adding to the pressure a term equal to the square of the molar density multiplied by a positive coefficient a. Second, the volume...
6.1K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

30.3K
Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
30.3K
Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation04:01

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation

38.6K
Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws.
38.6K
Current Density01:21

Current Density

5.0K
The total amount of current flowing through one unit value of a cross-sectional area is referred to as current density. If the current flow is uniform, the amount of current flowing through a conductor is the same at all points along the conductor, even if the conductor area varies. The current density consists of the local magnitude and direction of the charge flow, which varies from point to point. Current density is measured in amperes per meter square, and direction is defined as the net...
5.0K
Density and Archimedes' Principle01:05

Density and Archimedes' Principle

8.4K
When a lump of clay is dropped into water, it sinks. But if the same lump of clay is molded into the shape of a boat, it starts to float. Because of its shape, the clay boat displaces more water than the lump and experiences a greater buoyant force, even though its mass is the same. The same holds true for steel ships. The average density of an object majorly determines if the object will float. If an object's average density is less than that of the surrounding fluid, it will float. The...
8.4K

You might also read

Related Articles

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

Sort by
Same author

Accurate Density Functional Theory Forces for Charged Noncovalent Complexes.

The journal of physical chemistry letters·2026
Same author

Accurate density functional theory for noncovalent interactions in charged systems.

Science advances·2026
Same author

Approximate Normalizations for Approximate Density Functionals.

Physical review letters·2026
Same author

Analyzing density-driven errors: Principles and pitfalls.

The Journal of chemical physics·2026
Same author

Publisher Correction: A dataset of chemical reaction pathways incorporating halogen chemistry.

Scientific data·2026
Same author

Real-space machine learning of correlation density functionals.

Nature communications·2025

Related Experiment Video

Updated: Jan 4, 2026

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

13.2K

Density Functional Analysis: The Theory of Density-Corrected DFT.

Stefan Vuckovic1, Suhwan Song2, John Kozlowski1

  • 1Departments of Chemistry and of Physics , University of California , Irvine , California 92697 , United States.

Journal of Chemical Theory and Computation
|November 5, 2019
PubMed
Summary

Density-corrected density functional theory (DC-DFT) is enhanced to compare any two functionals, not just the exact one. This framework provides criteria for DC-DFT applicability and analyzes global hybrid functionals, addressing strong correlation effects.

More Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.6K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.9K

Related Experiment Videos

Last Updated: Jan 4, 2026

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

13.2K
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.6K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.9K

Area of Science:

  • Quantum Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Density-corrected density functional theory (DC-DFT) has shown significant success in refining semilocal density functional theory (DFT) calculations across diverse chemical applications.
  • Existing methods primarily focus on comparing approximate functionals against the exact functional.

Purpose of the Study:

  • To establish a generalized theoretical framework for analyzing functional minimization with approximate functionals.
  • To extend DC-DFT for comparing any two arbitrary functionals, not limited to comparison with the exact functional.
  • To define applicability criteria for DC-DFT and analyze global hybrid density functionals.

Main Methods:

  • Formal theoretical framework for functional minimization analysis.
  • Linear interpolation between two approximate functionals.
  • Analysis of global hybrid density functionals.
  • Definition of density space basins and quantitative applicability criteria for DC-DFT.
  • Investigation of strong correlation effects using the restricted HF Hubbard dimer.

Main Results:

  • A generalized DC-DFT framework enabling comparison between any two functionals.
  • Introduction of linear interpolation for analyzing functional approximations.
  • Quantitative criteria for determining the applicability of DC-DFT.
  • Analysis of global hybrid functionals and insights into density-driven errors under strong correlation.

Conclusions:

  • The generalized DC-DFT framework offers a robust method for evaluating and improving density functional approximations.
  • The study provides clear guidelines for the application of DC-DFT and its extension to complex electronic structure problems.
  • Understanding strong correlation effects is crucial for accurate DC-DFT predictions.