Jove
Visualize
Contact Us

Related Concept Videos

The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

28.6K
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.
28.6K
Electron Orbital Model01:18

Electron Orbital Model

70.5K
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...
70.5K
Atomic Orbitals02:44

Atomic Orbitals

40.8K
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.
40.8K
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

41.2K
Overview of Molecular Orbital Theory
41.2K
Electron Configurations02:46

Electron Configurations

23.4K
Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
The relative energies of the subshells determine the order in which atomic orbitals are filled (1s, 2s, 2p, 3s, 3p,...
23.4K
The Aufbau Principle and Hund's Rule03:02

The Aufbau Principle and Hund's Rule

69.2K
To determine the electron configuration for any particular atom, we can build the structures in the order of atomic numbers. Beginning with hydrogen, and continuing across the periods of the periodic table, we add one proton at a time to the nucleus and one electron to the proper subshell until we have described the electron configurations of all the elements. This procedure is called the aufbau principle, from the German word aufbau (“to build up”). Each added electron occupies the...
69.2K

You might also read

Related Articles

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

Sort by
Same author

An orbital picture extracted from correlated electronic wavefunctions and application to forbidden reactions: 70 years of the frontier orbital theory.

The Journal of chemical physics·2021
Same author

On the molecular electronic flux: Role of nonadiabaticity and violation of conservation.

The Journal of chemical physics·2021
Same author

Binuclear Mn oxo complex as a self-contained photocatalyst in water-splitting cycle: Role of additional Mn oxides as a buffer of electrons and protons.

The Journal of chemical physics·2020
Same author

Relativistic theory of electron-nucleus-radiation coupled dynamics in molecules: Wavepacket approach.

The Journal of chemical physics·2019
Same author

Chemical bonding and nonadiabatic electron wavepacket dynamics in densely quasi-degenerate excited electronic state manifold of boron clusters.

The Journal of chemical physics·2019
Same author

Electronic and nuclear fluxes induced by quantum interference in the adiabatic and nonadiabatic dynamics in the Born-Huang representation.

The Journal of chemical physics·2019
Same journal

Metastable excited states of iodide-alkyl halide cluster anions: Insights from photodetachment spectroscopy and non-Hermitian quantum chemistry.

The Journal of chemical physics·2026
Same journal

Pressure-induced thermal expansion anomalies in dhcp iron hydride associated with magnetoelastic coupling.

The Journal of chemical physics·2026
Same journal

Seniority eigenstate configuration interaction.

The Journal of chemical physics·2026
Same journal

A data-driven modeling study on the accurate identification of Doppler-free saturated absorption spectra in diatomic tellurium (130Te2).

The Journal of chemical physics·2026
Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
See all related articles
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 Experiment Video

Updated: Nov 14, 2025

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

9.0K

Energy natural orbitals.

Kazuo Takatsuka1, Yasuki Arasaki1

  • 1Fukui Institute for Fundamental Chemistry, Kyoto University, 606-8103 Kyoto, Japan.

The Journal of Chemical Physics
|March 9, 2021
PubMed
Summary
This summary is machine-generated.

We introduce energy natural orbitals (ENOs) to analyze complex electronic wavefunctions and electron wavepackets. ENOs offer a novel way to understand chemical reactions by tracking orbital populations during reactions.

More Related Videos

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

8.7K
Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures
08:53

Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures

Published on: October 9, 2012

17.9K

Related Experiment Videos

Last Updated: Nov 14, 2025

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

9.0K
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

8.7K
Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures
08:53

Angle-resolved Photoemission Spectroscopy At Ultra-low Temperatures

Published on: October 9, 2012

17.9K

Area of Science:

  • Quantum Chemistry
  • Theoretical Chemistry
  • Computational Chemistry

Background:

  • Analyzing highly correlated electronic wavefunctions and electron wavepackets is computationally challenging.
  • Existing methods struggle with extremely complex systems like quasi-degenerate excited-state manifolds.

Purpose of the Study:

  • To propose and demonstrate a new method for analyzing complex electronic wavefunctions and electron wavepackets.
  • To introduce energy natural orbitals (ENOs) as a tool for understanding chemical reactions.

Main Methods:

  • Numerical demonstration of energy natural orbitals (ENOs).
  • ENOs are defined as eigenfunctions of the energy density operator.
  • Analysis of electronic wavefunctions from methods like configuration interaction and cluster expansion.

Main Results:

  • ENOs are one-electron functions that can represent complex electronic wavefunctions.
  • The sum of ENO orbital energies equals the total electronic energy.
  • ENO populations vary during chemical reactions while maintaining a constant total population.

Conclusions:

  • ENOs provide a powerful new framework for analyzing electronic wavefunctions and electron dynamics.
  • This method is applicable to a wide range of chemical reactions, including nonadiabatic and excited-state processes.
  • Case studies, including nonadiabatic electron transfer, demonstrate the utility of ENOs.