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

Second Derivatives and Laplace Operator01:22

Second Derivatives and Laplace Operator

1.3K
The first order operators using the del operator include the gradient, divergence and curl. Certain combinations of first order operators on a scalar or vector function yield second order expressions. Second-order expressions play a very important role in mathematics and physics. Some second order expressions include the divergence and curl of a gradient function, the divergence and curl of a curl function, and the gradient of a divergence function.
Consider a scalar function. The curl of its...
1.3K
Differential Form of Maxwell's Equations01:17

Differential Form of Maxwell's Equations

570
James Clerk Maxwell (1831–1879) was one of the significant contributors to physics in the nineteenth century. He is probably best known for having combined existing knowledge of the laws of electricity and the laws of magnetism with his insights to form a complete overarching electromagnetic theory, represented by Maxwell's equations. The four basic laws of electricity and magnetism were discovered experimentally through the work of physicists such as Oersted, Coulomb, Gauss, and...
570
Transmission-Line Differential Equations01:26

Transmission-Line Differential Equations

368
Transmission lines are essential components of electrical power systems. They are characterized by the distributed nature of resistance (R), inductance (L), and capacitance (C) per unit length. To analyze these lines, differential equations are employed to model the variations in voltage and current along the line.
Line Section Model
A circuit representing a line section of length Δx helps in understanding the transmission line parameters. The voltage V(x) and current i(x) are measured...
368
Fermi Level Dynamics01:12

Fermi Level Dynamics

308
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...
308
Symmetry in Maxwell's Equations01:28

Symmetry in Maxwell's Equations

3.5K
Once the fields have been calculated using Maxwell's four equations, the Lorentz force equation gives the force that the fields exert on a charged particle moving with a certain velocity. The Lorentz force equation combines the force of the electric field and of the magnetic field on the moving charge. Maxwell's equations and the Lorentz force law together encompass all the laws of electricity and magnetism. The symmetry that Maxwell introduced into his mathematical framework may not be...
3.5K
Van der Waals Equation01:10

Van der Waals Equation

4.3K
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...
4.3K

You might also read

Related Articles

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

Sort by
Same author

Momentum-Resolved X-Ray Thomson Scattering Benchmark of Electronic-Response Models in Warm Dense Aluminium.

Physical review letters·2026
Same author

Enhancing the efficiency of time-dependent density functional theory calculations of dynamic response properties.

npj computational materials·2026
Same author

Probing ultrafast heating and ionization dynamics in solid density plasmas with time-resolved resonant X-ray absorption and emission.

Nature communications·2026
Same author

Application of a spherically averaged pair potential in ab initio path integral Monte Carlo simulations of a warm dense electron gas.

Physical review. E·2025
Same author

Reweighting estimator for ab initio path integral Monte Carlo simulations of fictitious identical particles.

The Journal of chemical physics·2025
Same author

Accelerated Free Energy Estimation in <i>Ab Initio</i> Path Integral Monte Carlo Simulations.

The journal of physical chemistry letters·2025

Related Experiment Video

Updated: Aug 12, 2025

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

8.3K

Ab Initio Static Exchange-Correlation Kernel across Jacob's Ladder without Functional Derivatives.

Zhandos Moldabekov1,2, Maximilian Böhme1, Jan Vorberger2

  • 1Center for Advanced Systems Understanding (CASUS), D-02826Görlitz, Germany.

Journal of Chemical Theory and Computation
|February 1, 2023
PubMed
Summary

We developed a new, exact method to calculate the electronic exchange-correlation (XC) kernel using density functional theory (DFT). This approach provides crucial insights into XC functional performance for materials under extreme conditions.

More Related Videos

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

8.5K
Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
08:44

Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

Published on: August 22, 2017

7.8K

Related Experiment Videos

Last Updated: Aug 12, 2025

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

8.3K
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

8.5K
Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
08:44

Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

Published on: August 22, 2017

7.8K

Area of Science:

  • Computational Physics
  • Quantum Chemistry
  • Materials Science

Background:

  • The electronic exchange-correlation (XC) kernel is vital for predicting material properties like conductivity and dielectric response.
  • Accurate XC kernels are essential for understanding systems under extreme conditions, such as warm dense matter.

Purpose of the Study:

  • To present a formally exact methodology for computing the static XC kernel within density functional theory (DFT).
  • To validate the new method by comparing results with Quantum Monte Carlo (QMC) data.
  • To explore the performance of XC functionals for warm dense matter and hydrogen.

Main Methods:

  • Developed a novel, exact method for calculating the static XC kernel.
  • Utilized density functional theory (DFT) without external functional derivatives.
  • Compared DFT results with exact Quantum Monte Carlo (QMC) data for uniform electron gas and warm dense hydrogen.

Main Results:

  • The new DFT methodology accurately computes the static XC kernel.
  • Excellent agreement was found between DFT and QMC results for the uniform electron gas under various conditions.
  • New DFT results for the XC kernel of warm dense hydrogen were obtained, showing good agreement with QMC.

Conclusions:

  • The presented framework offers a formally exact way to compute the XC kernel using DFT.
  • The method provides valuable insights into XC functional performance, especially for extreme conditions.
  • The approach successfully captures complex phenomena like XC-induced isotropy breaking in hydrogen.