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Related Concept Videos

Potential Energy00:52

Potential Energy

The energy stored by a structure and location of matter in space is called potential energy. For instance, raising a kettlebell changes its spatial location and increases its potential energy. Similarly, a stretched rubber band contains potential energy which, under certain conditions, can be converted into other forms of energy, such as kinetic energy.
Chemical bonds that form attractive forces between atoms also contain potential energy, called chemical energy. When a chemical reaction...
Potential Energy01:09

Potential Energy

A conservative force, such as a gravitational or elastic force, gives the body the capacity to do work. This capacity, measured as the potential energy, depends on the body's location or “position” relative to a fixed reference position or datum. The gravitational potential energy is considered zero at the reference point. Suppose a body is located at some vertical distance above a fixed horizontal reference or datum. In that case, the weight of the body has positive gravitational potential...
Standard Electrode Potentials03:02

Standard Electrode Potentials

On comparing the reactivity of silver and lead, it is observed that the two ionic species, Ag+ (aq) and Pb2+ (aq), show a difference in their redox reactivity towards copper: the silver ion undergoes spontaneous reduction, while the lead ion does not. This relative redox activity can be easily quantified in electrochemical cells by a property called cell potential. This property is commonly known as cell voltage in electrochemistry, and it is a measure of the energy which accompanies the charge...
Types of Potential Energy01:16

Types of Potential Energy

Potential energy is also known as energy at rest or stored energy. Common types of potential energy include the gravitational potential energy stored in an apple hanging from a tree, the electrical potential energy stored in an object due to the attraction or repulsion of electric charges, and the chemical potential energy stored in the bonds between atoms and molecules. Additionally, the nuclear energy stored in an atomic nucleus and the elastic energy stored in a stretched spring due to its...
Potential-Energy Criterion for Equilibrium01:16

Potential-Energy Criterion for Equilibrium

Potential energy or potential function plays an essential role in determining the stability of a mechanical system. If a system is subjected to both gravitational and elastic forces, the potential function of the system can be expressed as the algebraic sum of gravitational and elastic potential energy. If the system is in equilibrium and is displaced by a small amount, then the work done on the system equals the negative of the change in the system's potential energy from the initial to the...
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;...

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Related Experiment Video

Updated: Jun 22, 2026

Synthesis, Characterization, and Functionalization of Hybrid Au/CdS and Au/ZnS Core/Shell Nanoparticles
08:19

Synthesis, Characterization, and Functionalization of Hybrid Au/CdS and Au/ZnS Core/Shell Nanoparticles

Published on: March 2, 2016

New model core potentials for gold.

Tao Zeng1, Mariusz Klobukowski

  • 1Department of Chemistry, University of Alberta, Edmonton, Alberta T6G 2G2, Canada.

The Journal of Chemical Physics
|June 3, 2009
PubMed
Summary
This summary is machine-generated.

Researchers developed new model core potentials (MCPs) for gold, finding the 5s, 5p, 5d, and 6s valence space is most accurate. This improves calculations for gold compounds and diatomic gold.

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Versatile Technique to Produce a Hierarchical Design in Nanoporous Gold
05:28

Versatile Technique to Produce a Hierarchical Design in Nanoporous Gold

Published on: February 10, 2023

Related Experiment Videos

Last Updated: Jun 22, 2026

Synthesis, Characterization, and Functionalization of Hybrid Au/CdS and Au/ZnS Core/Shell Nanoparticles
08:19

Synthesis, Characterization, and Functionalization of Hybrid Au/CdS and Au/ZnS Core/Shell Nanoparticles

Published on: March 2, 2016

Versatile Technique to Produce a Hierarchical Design in Nanoporous Gold
05:28

Versatile Technique to Produce a Hierarchical Design in Nanoporous Gold

Published on: February 10, 2023

Area of Science:

  • Computational Chemistry
  • Quantum Chemistry
  • Relativistic Calculations

Background:

  • Accurate theoretical modeling of heavy elements like gold is crucial.
  • Model Core Potentials (MCPs) simplify calculations by treating core electrons as fixed.

Purpose of the Study:

  • To develop and evaluate new MCPs for gold based on advanced relativistic calculations.
  • To determine the optimal valence electron configuration for accurate gold potential energy calculations.

Main Methods:

  • Developed four MCPs for gold using third-order Douglas-Kroll-Hess relativistic all-electron calculations.
  • Varied the valence spaces from 3 to 5 orbitals (e.g., 5p, 5d, 6s to 5s, 4f, 5p, 5d, 6s).
  • Applied new MCPs to calculate atomic properties and potential energy curves for AuH and Au(2).

Main Results:

  • The 4f orbital can be excluded from the valence space.
  • Inclusion of the 5s orbital is essential due to significant 5s-6s electron correlation.
  • The MCP with the valence space {5s, 5p, 5d, 6s} demonstrated the highest accuracy and efficiency.

Conclusions:

  • The proposed MCPs offer improved accuracy for gold electronic structure calculations.
  • The {5s, 5p, 5d, 6s} valence space provides an optimal balance of accuracy and computational efficiency for gold.
  • These findings are vital for precise modeling of gold-containing molecules and materials.