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

Nuclear Binding Energy02:13

Nuclear Binding Energy

The difference between the calculated and experimentally measured masses is known as the mass defect of the atom. In the case of helium-4, the mass defect indicates a “loss” in mass of 4.0331 amu – 4.0026 amu = 0.0305 amu. The loss in mass accompanying the formation of an atom from protons, neutrons, and electrons is due to the conversion of that mass into energy that is evolved as the atom forms. The nuclear binding energy is the energy produced when the atoms’ nucleons are bound together;...
Valence Bond Theory02:45

Valence Bond Theory

Overview of Valence Bond Theory
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

Molecular Orbital Energy Diagrams
Spin–Spin Coupling: One-Bond Coupling01:17

Spin–Spin Coupling: One-Bond Coupling

Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of bonding electrons. While nuclei polarize their electrons to the opposite spins, the bonding electron pair has opposite spins. Configurations with antiparallel nuclear spins are expected to be lower in energy. When coupling makes antiparallel states more favorable, J is considered to have a positive value. The one-bond coupling constant, 1J,...
Polar Covalent Bonds02:24

Polar Covalent Bonds

Covalent bonds are formed between two atoms when both have similar tendencies to attract electrons to themselves (i.e., when both atoms have identical or fairly similar ionization energies and electron affinities). Nonmetal atoms frequently form covalent bonds with other nonmetal atoms. For example, the hydrogen molecule, H2, contains a covalent bond between its two hydrogen atoms. When two separate hydrogen atoms with a particular potential energy approach each other, their valence orbitals...

You might also read

Related Articles

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

Sort by
Same author

Non-adiabatic origin of roaming OH dynamics in the formic acid dimer dication.

Physical chemistry chemical physics : PCCP·2026
Same author

Bias and Its Control in Stochastic Approaches to Electronic-Structure Theory.

Journal of chemical theory and computation·2026
Same author

Ultrafast and Ultraslow Proton-Transfer Dynamics Induced by Formic Acid Dimer Ionization.

The journal of physical chemistry. A·2025
Same author

Stochastically Bundled Dissipators for the Quantum Master Equation.

Journal of chemical theory and computation·2025
Same author

Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green's Function.

Journal of chemical theory and computation·2024
Same author

Symmetry-breaking dynamics of a photoionized carbon dioxide dimer.

Nature communications·2024

Related Experiment Video

Updated: Jun 27, 2026

Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow
10:34

Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow

Published on: April 24, 2014

A tight-binding potential for helium in carbon systems.

Rebecca Granot1, Roi Baer

  • 1Institute of Chemistry and the Fritz Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem 91904, Israel.

The Journal of Chemical Physics
|December 10, 2008
PubMed
Summary

We developed a fast, transferable tight-binding method to study helium in carbon systems like diamonds and fullerenes, crucial for planetary science and astrophysics.

Area of Science:

  • Planetary Science
  • Geophysics
  • Astrophysics
  • Evolutionary Biology

Background:

  • Helium's presence in carbon systems (diamonds, fullerenes) is significant across multiple scientific disciplines.
  • Studying these large atomic systems requires efficient methods for potential and force calculations.

Purpose of the Study:

  • To develop a fast and accurate computational method for assessing helium interactions in carbon systems.
  • To improve the understanding of helium's behavior in diamonds and fullerenes.

Main Methods:

  • A tight-binding approach was developed, integrating density functional calculations.
  • A many-body potential term was incorporated to enhance accuracy for bulky systems.

Main Results:

More Related Videos

A Uniaxial Compression Experiment with CO2-Bearing Coal Using a Visualized and Constant-Volume Gas-Solid Coupling Test System
10:27

A Uniaxial Compression Experiment with CO2-Bearing Coal Using a Visualized and Constant-Volume Gas-Solid Coupling Test System

Published on: June 12, 2019

Achieving Moderate Pressures in Sealed Vessels Using Dry Ice As a Solid CO2 Source
06:26

Achieving Moderate Pressures in Sealed Vessels Using Dry Ice As a Solid CO2 Source

Published on: August 17, 2018

Related Experiment Videos

Last Updated: Jun 27, 2026

Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow
10:34

Exploring the Radical Nature of a Carbon Surface by Electron Paramagnetic Resonance and a Calibrated Gas Flow

Published on: April 24, 2014

A Uniaxial Compression Experiment with CO2-Bearing Coal Using a Visualized and Constant-Volume Gas-Solid Coupling Test System
10:27

A Uniaxial Compression Experiment with CO2-Bearing Coal Using a Visualized and Constant-Volume Gas-Solid Coupling Test System

Published on: June 12, 2019

Achieving Moderate Pressures in Sealed Vessels Using Dry Ice As a Solid CO2 Source
06:26

Achieving Moderate Pressures in Sealed Vessels Using Dry Ice As a Solid CO2 Source

Published on: August 17, 2018

  • The method accurately consolidates density functional results for helium in diamond.
  • It effectively models helium passage through benzene rings, relevant for fullerene applications.
  • The approach demonstrates good transferability across different carbon systems.

Conclusions:

  • The developed tight-binding method offers a simple and effective tool for studying helium in carbon systems.
  • This method has broad applicability in planetary sciences, geophysics, astrophysics, and evolutionary biology.