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

Van der Waals Equation01:10

Van der Waals Equation

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...
The Van der Waals Equation01:26

The Van der Waals Equation

The ideal gas law is based on two simplifying assumptions: first, that there are no intermolecular attractions between gas molecules, and second, that the volume occupied by the molecules themselves is negligible compared with the volume of the container. However, these assumptions don't hold up under all conditions - specifically, at high pressures and low temperatures, as gas tends to deviate from ideal gas behavior.The van der Waals equation is an enhanced version of the ideal gas law,...
Van der Waals Interactions01:24

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.Polar molecules have a partial positive charge on one end and a partial negative charge on the other end of the molecule,...
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

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.
VSEPR Theory02:37

VSEPR Theory

Valence shell electron-pair repulsion theory (VSEPR theory) enables us to predict the molecular structure around a central atom from an examination of the number of bonds and lone electron pairs in its Lewis structure. The VSEPR model assumes that electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between these electron pairs by maximizing the distance between them. The electrons in the valence shell of a central atom form either bonding...
VSEPR Theory and the Basic Shapes02:52

VSEPR Theory and the Basic Shapes

Overview of VSEPR Theory

You might also read

Related Articles

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

Sort by
Same author

How to Use Quantum Computers for Biomolecular Free Energies.

Journal of chemical theory and computation·2026
Same author

Thermal and vibronic effects on the absorption spectra of II-VI quantum dots: Atomistic origins of the Urbach tail.

The Journal of chemical physics·2026
Same author

Band Alignment in Core-Shell Nanocrystals by Estimating Wave Function Tunneling Probabilities.

Nano letters·2025
Same author

Clifford Circuit-Based Heuristic Optimization of Fermion-To-Qubit Mappings.

Journal of chemical theory and computation·2025
Same author

The Embedded Density Matrix Renormalization Group: Size-Extensive and Quasi-Exact for Nonlinear Quantum Chemistry.

Journal of chemical theory and computation·2025
Same author

QuEmb: A Toolbox for Bootstrap Embedding Calculations of Molecular and Periodic Systems.

The journal of physical chemistry. A·2025

Related Experiment Video

Updated: Jun 5, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Nonlocal van der Waals density functional: the simpler the better.

Oleg A Vydrov1, Troy Van Voorhis

  • 1Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA. vydrov@mit.edu

The Journal of Chemical Physics
|January 5, 2011
PubMed
Summary

Researchers developed a simple, accurate nonlocal correlation energy functional for describing dispersion interactions using only electron density. This computationally inexpensive tool precisely predicts properties of weakly-bound complexes and covalent bonds.

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

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

Related Experiment Videos

Last Updated: Jun 5, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

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

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

Area of Science:

  • Quantum Chemistry
  • Computational Materials Science
  • Electronic Structure Theory

Background:

  • Accurately describing dispersion interactions is crucial for understanding molecular behavior.
  • Existing methods often involve complex formulations or approximations.
  • A seamless and computationally efficient approach is needed.

Purpose of the Study:

  • To develop a novel nonlocal correlation energy functional.
  • To enable accurate description of the full range of dispersion interactions.
  • To provide a computationally inexpensive electronic structure tool.

Main Methods:

  • Devised a new nonlocal correlation energy functional based solely on electron density.
  • Ensured a tractable and robust analytic form for efficient implementation.
  • Paired the functional with an appropriate exchange functional.

Main Results:

  • The functional accurately describes dispersion interactions across their entire range.
  • Achieved high precision in predicting interaction energies of weakly-bound complexes, even far from equilibrium.
  • Demonstrated outstanding accuracy in predicting equilibrium intermonomer separations in van der Waals complexes.
  • Obtained accurate covalent bond lengths and atomization energies.

Conclusions:

  • The proposed functional offers a computationally inexpensive and broadly applicable electronic structure tool.
  • It provides a seamless and accurate description of dispersion interactions.
  • The functional's simplicity and robustness facilitate its practical implementation.