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Electronic Structure of Atoms02:28

Electronic Structure of Atoms


An atom comprises protons and neutrons, which are contained inside the dense, central core called the nucleus, with electrons present around the nucleus. Taking into account the wave–particle duality of electrons and the uncertainty in position around the nucleus, quantum mechanics provides a more accurate model for the atomic structure. It describes atomic orbitals as the regions around the nucleus where electrons of discrete energy exist, characterized by four quantum numbers:  n, l, ml, and...
Molecular Models02:00

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
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...
Resonance and Hybrid Structures02:16

Resonance and Hybrid Structures

According to the theory of resonance, if two or more Lewis structures with the same arrangement of atoms can be written for a molecule, ion, or radical, the actual distribution of electrons is an average of that shown by the various Lewis structures.
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

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. Schrödinger...
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

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Related Experiment Video

Updated: May 31, 2026

Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

Electronic structure modeling in an engineering context (abstract only).

Clint B Geller1

  • 1Bechtel Bettis Laboratory, West Mifflin, PA 15134, USA.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|June 23, 2011
PubMed
Summary
This summary is machine-generated.

The US Department of Energy achieved record energy conversion efficiency in advanced thermophotovoltaic devices. This work highlights the importance of materials physics and electronic structure modeling in engineering development and collaboration.

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Last Updated: May 31, 2026

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Engineering

Background:

  • The US Department of Energy (DOE) led significant advancements in thermophotovoltaic (TPV) device technology between 1994 and 2005.
  • These efforts focused on achieving world-record energy conversion efficiencies for TPV systems.

Purpose of the Study:

  • To detail the role of a materials physicist and electronic structure modeler within the DOE's TPV development project.
  • To analyze the integration of theoretical modeling with practical engineering for device improvement.
  • To propose essential interfaces between academic electronic structure tool developers and industrial/governmental engineering users.

Main Methods:

  • Embedded materials physicist and electronic structure modeler within an engineering development team.
  • Utilized electronic structure modeling to support and guide TPV device design improvements.
  • Generalized project experiences to identify key collaboration needs.

Main Results:

  • Successful development of advanced thermophotovoltaic devices achieving world-record energy conversion efficiency.
  • Demonstrated the value of integrating electronic structure modeling into the engineering design cycle.
  • Identified critical needs for effective collaboration between tool developers and users.

Conclusions:

  • Materials physics and electronic structure modeling are crucial for advancing energy conversion technologies like TPVs.
  • Effective collaboration frameworks are necessary to bridge the gap between academic research and industrial/governmental engineering applications.
  • The findings offer insights for optimizing the development and adoption of advanced computational tools in engineering organizations.