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

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

42.4K
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.
42.4K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

26.6K
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...
26.6K
Theory of Metallic Conduction01:17

Theory of Metallic Conduction

1.3K
The conduction of free electrons inside a conductor is best described by quantum mechanics. However, a classical model makes predictions close to the results of quantum mechanics. It is called the theory of metallic conduction.
In this theory, Newton's second law of motion is used to determine the acceleration of an electron in the presence of an applied electric field. Then, its velocity is expressed via this acceleration.
An electron moves through the crystal, containing positive ions,...
1.3K
The Pauli Exclusion Principle03:06

The Pauli Exclusion Principle

38.0K
The arrangement of electrons in the orbitals of an atom is called its electron configuration. We describe an electron configuration with a symbol that contains three pieces of information:
38.0K
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

42.7K
Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
42.7K
Fermi Level Dynamics01:12

Fermi Level Dynamics

258
The vacuum level denotes the energy threshold required for an electron to escape from a material surface. It is usually positioned above the conduction band of a semiconductor and acts as a benchmark for comparing electron energies within various materials.
Electron affinity in semiconductors refers to the energy gap between the minimum of its conduction band and the vacuum level and it is a critical parameter in determining how easily a semiconductor can accept additional electrons.
The work...
258

You might also read

Related Articles

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

Sort by
Same author

Understanding polaronic transport in complex oxides by combining precise synthesis and first-principles many-body theory.

Reports on progress in physics. Physical Society (Great Britain)·2026
Same author

Bandlike charge transport and electron-phonon coupling in organic molecular crystals.

Journal of physics. Condensed matter : an Institute of Physics journal·2024
Same author

Deep-ultraviolet transparent conducting SrSnO<sub>3</sub> via heterostructure design.

Science advances·2024
Same author

Carbon-Related Quantum Emitter in Hexagonal Boron Nitride with Homogeneous Energy and 3-Fold Polarization.

Nano letters·2024
Same author

Computing electron dynamics in momentum space.

Nature computational science·2024
Same author

Dominant Two-Dimensional Electron-Phonon Interactions in the Bulk Dirac Semimetal Na<sub>3</sub>Bi.

Nano letters·2023

Related Experiment Video

Updated: Jul 11, 2025

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

9.7K

Efficient Mean-Field Simulation of Quantum Circuits Inspired by Density Functional Theory.

Marco Bernardi1,2

  • 1Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, California 91125, United States.

Journal of Chemical Theory and Computation
|November 10, 2023
PubMed
Summary

Researchers developed a new method inspired by density functional theory (DFT) to simulate quantum circuits (QCs). This approach enables accurate prediction of single-qubit probabilities for larger QCs using significantly fewer resources.

More Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.8K
Silicon Metal-oxide-semiconductor Quantum Dots for Single-electron Pumping
14:58

Silicon Metal-oxide-semiconductor Quantum Dots for Single-electron Pumping

Published on: June 3, 2015

14.7K

Related Experiment Videos

Last Updated: Jul 11, 2025

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

9.7K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

12.8K
Silicon Metal-oxide-semiconductor Quantum Dots for Single-electron Pumping
14:58

Silicon Metal-oxide-semiconductor Quantum Dots for Single-electron Pumping

Published on: June 3, 2015

14.7K

Area of Science:

  • Quantum Computing
  • Computational Physics
  • Quantum Information Science

Background:

  • Exact simulations of quantum circuits (QCs) are computationally expensive, scaling exponentially with qubit number.
  • Current limitations restrict exact simulations to approximately 50 qubits.
  • Efficient approximate simulation methods are crucial for advancing QC research.

Purpose of the Study:

  • To develop an efficient approximate simulation method for quantum circuits.
  • To enable accurate prediction of marginal single-qubit probabilities (SQPs) for larger QCs.
  • To reduce the memory and computational cost associated with QC simulations.

Main Methods:

  • A novel method inspired by density functional theory (DFT) was employed.
  • A mean-field description of quantum circuits was developed.
  • Optimal single- and two-qubit gate functionals were formulated, analogous to DFT's exchange-correlation functionals.

Main Results:

  • The method accurately predicts marginal single-qubit probabilities (SQPs) with over 90% accuracy for several classes of QCs.
  • Simulations utilize memory and computational resources that scale linearly with qubit number.
  • The approach avoids the need to compute the full QC wave function.

Conclusions:

  • The DFT-inspired method offers a computationally efficient alternative for simulating quantum circuits.
  • This formalism significantly expands the scale of quantum circuits that can be simulated.
  • Future extensions of this method hold promise for further advancements in quantum computing research.