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

Atomic Orbitals02:44

Atomic Orbitals

An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.
Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

In an atom, the negatively charged electrons are attracted to the positively charged nucleus. In a multielectron atom, electron-electron repulsions are also observed. The attractive and repulsive forces are dependent on the distance between the particles, as well as the sign and magnitude of the charges on the individual particles. When the charges on the particles are opposite, they attract each other. If both particles have the same charge, they repel each other.
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

Overview of Molecular Orbital Theory
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
Electron Orbital Model01:18

Electron Orbital Model

Orbitals are the areas outside of the atomic nucleus where electrons are most likely to reside. They are characterized by different energy levels, shapes, and three-dimensional orientations. The location of electrons is described most generally by a shell or principal energy level, then by a subshell within each shell, and finally, by individual orbitals found within the subshells.The first shell is closest to the nucleus, and it has only one subshell with a single spherical orbital called the...

You might also read

Related Articles

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

Sort by
Same author

TBCRC 035: randomized phase II pharmacodynamic study of standard and reduced-dose palbociclib with endocrine therapy in hormone receptor (HR)-positive previously treated metastatic breast cancer.

ESMO open·2026
Same author

How air pollution affects cause-specific emergency hospital admissions on days with biomass combustion in Spain?

The Science of the total environment·2025
Same author

Short-term effects of fine particulate matter from biomass combustion and Saharan dust intrusions on emergency hospital admissions due to mental and behavioural disorders, anxiety and depression in Spain.

The Science of the total environment·2024
Same author

APOST-3D: Chemical concepts from wavefunction analysis.

The Journal of chemical physics·2024
Same author

Non-invasive sampling of water-borne hormones demonstrates individual consistency of the cortisol response to stress in laboratory zebrafish (Danio rerio).

Scientific reports·2022
Same author

Time course and management of key adverse events during the randomized phase III SOLAR-1 study of PI3K inhibitor alpelisib plus fulvestrant in patients with HR-positive advanced breast cancer.

Annals of oncology : official journal of the European Society for Medical Oncology·2020

Related Experiment Video

Updated: Jun 22, 2026

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
06:53

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−

Published on: July 27, 2018

Effective atomic orbitals for fuzzy atoms.

I Mayer1, P Salvador

  • 1Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary.

The Journal of Chemical Physics
|June 25, 2009
PubMed
Summary
This summary is machine-generated.

A new method extracts effective atomic orbitals and minimal basis sets from molecular wave functions. This approach, using "fuzzy" atoms, yields a number of effective orbitals comparable to classical minimal basis sets.

More Related Videos

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

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

Related Experiment Videos

Last Updated: Jun 22, 2026

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−
06:53

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−

Published on: July 27, 2018

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

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

Area of Science:

  • Quantum Chemistry
  • Computational Chemistry
  • Atomic and Molecular Physics

Background:

  • Characterizing atomic states within molecules is crucial for understanding chemical bonding and reactivity.
  • Traditional methods for defining atomic orbitals in molecules can be complex and computationally intensive.
  • The concept of "fuzzy" atoms offers a novel perspective on atomic localization within molecular systems.

Purpose of the Study:

  • To develop a method for extracting effective atomic orbitals and minimal basis sets from molecular wave functions.
  • To apply this method within the framework of "fuzzy" atoms.
  • To assess the conceptual importance of the extracted orbitals.

Main Methods:

  • Development of a novel computational method for orbital extraction.
  • Application of the "fuzzy" atom concept to molecular wave function analysis.
  • Analysis of orbital occupation numbers to identify effective orbitals.

Main Results:

  • Successfully developed a method to extract effective atomic orbitals and basis sets.
  • Demonstrated that the number of effective orbitals with significant occupation matches classical minimal basis sets.
  • The extracted orbitals effectively represent the atomic state within the molecule.

Conclusions:

  • The developed method provides a conceptually important way to define atomic orbitals in molecules.
  • The "fuzzy" atom approach offers a viable alternative for basis set representation.
  • This work contributes to a deeper understanding of electronic structure in molecules.