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

MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

14.4K
The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
14.4K
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

60.3K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
60.3K
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

28.0K
Molecular Orbital Energy Diagrams
28.0K
Debye–Huckel–Onsager Conductance Equation01:28

Debye–Huckel–Onsager Conductance Equation

12
The Debye-Hückel-Onsager equation is a cornerstone of physical chemistry, providing a method to determine the molar conductance (Λm) and molar conductance at infinite dilution (Λ°m) for uni-univalent electrolytes.Uni-univalent electrolytes are electrolytes that dissociate in solution to produce one cation with a +1 charge and one anion with a –1 charge per formula unit.This equation addresses two crucial phenomena: the asymmetry effect and the electrophoretic effect.
12
Pharmacodynamic Models: Link Model and Systems Pharmacodynamic Model01:14

Pharmacodynamic Models: Link Model and Systems Pharmacodynamic Model

51
The link model is a fundamental pharmacokinetic-pharmacodynamic (PK–PD) approach to account for delayed drug responses when the observed effect does not immediately correlate with the drug's plasma concentration peak. This delay is mathematically addressed by introducing an effect compartment concentration, Ce, which is kinetically linked to the plasma concentration, Cp, via a first-order rate constant, ke0. The linkage allows for a more accurate prediction of drug effects over time. A...
51
Van der Waals Equation01:10

Van der Waals Equation

6.6K
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...
6.6K

You might also read

Related Articles

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

Sort by
Same author

The neutrophil-to-lymphocyte ratio and incident chronic kidney disease in a community-based cohort: a prospective study.

Scientific reports·2026
Same author

Robust adaptive fault-tolerant learning control for human height-weight prediction based on DNN.

Scientific reports·2026
Same author

Bitter taste TAS2R14 and TAS2R46 receptors bound to G proteins: comparison of cryo-EM, AlphaFold, and molecular dynamics structures.

European biophysics journal : EBJ·2026
Same author

Enrichment of lithium by lithium-accumulating bacteria and its enhancement by electrical stimulation.

Bioresource technology·2026
Same author

BMI and Prognostic Nutritional Index Are Independently and Positively Associated with Three Year Glycemic Change in Non-Diabetic Adults: A Community-Based Cohort Study.

Nutrients·2026
Same author

Dual-Side Hybrid Embedding Network for Gain Enhancement of Terahertz Amplifiers at Frequencies Near <i>f</i><sub>max</sub>.

Micromachines·2026

Related Experiment Video

Updated: Feb 28, 2026

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

9.0K

Describing a Strongly Correlated Model System with Density Functional Theory.

Jing Kong1, Emil Proynov1, Jianguo Yu1

  • 1Department of Chemistry and Center for Computational Sciences, Middle Tennessee State University , 1301 East Main Street, Murfreesboro, Tennessee 37130, United States.

The Journal of Physical Chemistry Letters
|June 17, 2017
PubMed
Summary

This study explores hydrogen chains, modeling transitions between metallic and Mott insulator states using advanced density functional theory. It demonstrates a mean-field approach

More Related Videos

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

13.4K
An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

9.1K

Related Experiment Videos

Last Updated: Feb 28, 2026

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

9.0K
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

13.4K
An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

9.1K

Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Chemistry

Background:

  • Hydrogen chains serve as a fundamental model for metal-to-Mott insulator transitions.
  • Understanding strong correlation is crucial for materials science.

Purpose of the Study:

  • To investigate the electronic structure and phase transitions in linear hydrogen chains.
  • To apply a new density functional theory (DFT) model for strongly correlated systems.
  • To explore the Peierls dimerization in a Mott insulating hydrogen chain.

Main Methods:

  • Utilized a recent DFT model functional designed for nondynamic and strong correlation.
  • Computed the cohesive energy curve for the metal-insulator transition.
  • Developed a DFT descriptor to quantify localized electrons.
  • Analyzed the Peierls dimerization in a Mott insulator.

Main Results:

  • The computed cohesive energy curve accurately matches literature data.
  • A novel DFT descriptor effectively characterizes electronic structure variations.
  • The study successfully depicts phase transitions in a semiquantitative phase diagram.
  • Demonstrated the feasibility of studying strongly correlated materials with mean-field DFT.

Conclusions:

  • The DFT model accurately captures the transition from metallic to Mott insulating states in hydrogen chains.
  • The developed descriptor provides insights into electron localization.
  • Mean-field DFT models can effectively study strongly correlated materials, challenging prior pessimism.