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Related Concept Videos

Electron Behavior00:54

Electron Behavior

Electrons are negatively charged subatomic particles that are attracted to an orbit around the positively-charged nucleus of an atom. They reside in locations that are associated with energy levels called shells and are further organized into sub-shells and orbitals within each shell.Electrons Orbit the NucleusElectrons are found in specific locations outside of the nucleus. The shell in which an electron resides indicates the general energy level of the electron: those closer to the nucleus...
Electron Behavior01:09

Electron Behavior

Electrons are negatively charged subatomic particles attracted to and orbit around the positively-charged nucleus of an atom. They reside in spaces associated with energy levels called shells and are further organized into subshells and orbitals within each shell.
Electrons Orbit the Nucleus
Electrons are found in specific locations outside of the nucleus. The shell in which an electron resides indicates the general energy level of the electron: those closer to the nucleus have less energy,...
The Quantum-Mechanical Model of an Atom02:45

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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...
The de Broglie Wavelength02:32

The de Broglie Wavelength

In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...
The Uncertainty Principle04:08

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Werner Heisenberg considered the limits of how accurately one can measure properties of an electron or other microscopic particles. He determined that there is a fundamental limit to how accurately one can measure both a particle’s position and its momentum simultaneously. The more accurate the measurement of the momentum of a particle is known, the less accurate the position at that time is known and vice versa. This is what is now called the Heisenberg uncertainty principle. He mathematically...
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An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0, resulting in...

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Updated: Jul 6, 2026

Time-resolved ElectroSpray Ionization Hydrogen-deuterium Exchange Mass Spectrometry for Studying Protein Structure and Dynamics
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Time-resolved ElectroSpray Ionization Hydrogen-deuterium Exchange Mass Spectrometry for Studying Protein Structure and Dynamics

Published on: April 17, 2017

Real-time electron dynamics with exact-exchange time-dependent density-functional theory.

H O Wijewardane1, C A Ullrich

  • 1Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211, USA.

Physical Review Letters
|March 21, 2008
PubMed
Summary

The time-dependent optimized effective potential (TDOEP) method reveals significant memory effects in semiconductor quantum wells. These effects are crucial near intersubband resonances during electron dynamics simulations.

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Published on: May 27, 2020

Area of Science:

  • Condensed Matter Physics
  • Quantum Mechanics
  • Computational Materials Science

Background:

  • Accurate theoretical descriptions of electron dynamics in nanostructures are essential for advancing semiconductor device design.
  • Time-dependent density-functional theory (TDDFT) offers a computationally tractable approach, but approximations for the exchange potential can limit accuracy.
  • The exact exchange potential is key to capturing complex quantum phenomena like memory effects.

Purpose of the Study:

  • To define and implement the exact exchange potential as an orbital functional using the time-dependent optimized effective potential (TDOEP) method.
  • To investigate the real-time nonlinear intersubband electron dynamics in a semiconductor quantum well.
  • To analyze the significance of memory effects in these dynamics, particularly near intersubband resonances.

Main Methods:

  • Numerical solution of the TDOEP integral equation.
  • Simulation of nonlinear electron dynamics in a two-subband semiconductor quantum well.
  • Focus on real-time evolution to capture transient phenomena.

Main Results:

  • The TDOEP method successfully defines the exact exchange potential as an orbital functional.
  • Numerical simulations reveal significant memory effects in the intersubband electron dynamics.
  • These memory effects become particularly pronounced in the vicinity of intersubband resonances.

Conclusions:

  • The TDOEP approach provides a robust framework for incorporating exact exchange effects in TDDFT.
  • Memory effects are a critical factor influencing electron dynamics in quantum wells, especially at resonant frequencies.
  • Understanding these effects is vital for accurate modeling and prediction of quantum well device behavior.