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

Maxwell-Boltzmann Distribution: Problem Solving01:20

Maxwell-Boltzmann Distribution: Problem Solving

3.0K
Individual molecules in a gas move in random directions, but a gas containing numerous molecules has a predictable distribution of molecular speeds, which is known as the Maxwell-Boltzmann distribution, f(v).
This distribution function f(v) is defined by saying that the expected number N (v1,v2) of particles with speeds between v1 and v2 is given by
3.0K
Fermi Level Dynamics01:12

Fermi Level Dynamics

806
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...
806
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

68.2K
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...
68.2K
Ampere-Maxwell's Law: Problem-Solving01:17

Ampere-Maxwell's Law: Problem-Solving

1.2K
A parallel-plate capacitor with capacitance C, whose plates have area A and separation distance d, is connected to a resistor R and a battery of voltage V. The current starts to flow at t = 0. What is the displacement current between the capacitor plates at time t? From the properties of the capacitor, what is the corresponding real current?
To solve the problem, we can use the equations from the analysis of an RC circuit and Maxwell's version of Ampère's law.
For the first part of the...
1.2K
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

49.5K
sp3d and sp3d 2 Hybridization
49.5K
Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

31.4K
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...
31.4K

You might also read

Related Articles

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

Sort by
Same author

Toy Models Reveal Intrinsic Biases in NICS: Insights to Verify NICS Interpretations.

Journal of computational chemistry·2026
Same author

Spin-generator coordinate method for electronic structure.

The Journal of chemical physics·2025
Same author

Quantum Information Patterns Between Atoms in a Molecule.

Chemistry (Weinheim an der Bergstrasse, Germany)·2024
Same author

Crosstalk between glucocorticoid and mineralocorticoid receptors boosts glucocorticoid-induced killing of multiple myeloma cells.

Cellular and molecular life sciences : CMLS·2023
Same author

Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix.

Journal of chemical theory and computation·2023
Same author

Impact of conformation and intramolecular interactions on vibrational circular dichroism spectra identified with machine learning.

Communications chemistry·2023

Related Experiment Video

Updated: Feb 21, 2026

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

13.4K

The role of the parameter landscape in Hartree-Fock quantum computing benchmarks.

Ruben Van der Stichelen1, Robbe Bohy2, Patrick Bultinck1

  • 1Ghent University, Department of Chemistry, Ghent Quantum Chemistry Group, Krijgslaan 289 (S3), B-9000 Ghent, Belgium.

The Journal of Chemical Physics
|February 19, 2026
PubMed
Summary

Benchmarking quantum computers for Hartree-Fock calculations requires evaluating the entire parameter landscape, not just single states. Noise affects accuracy across all parameters, even with error mitigation.

More Related Videos

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

8.4K
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

8.7K

Related Experiment Videos

Last Updated: Feb 21, 2026

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

13.4K
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

8.4K
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

8.7K

Area of Science:

  • Quantum computing
  • Computational chemistry
  • Quantum algorithms

Background:

  • Google AI Quantum previously benchmarked the Sycamore quantum processor for Hartree-Fock solutions using error mitigation.
  • Accurate benchmarking of quantum algorithms like Hartree-Fock necessitates evaluating the complete parameter space, not just specific solutions.

Purpose of the Study:

  • To characterize noise-induced errors within the full parameter landscape of a single Slater determinant quantum circuit during Hartree-Fock optimization.
  • To assess the homogeneity of fidelity and noise-induced errors across the orbital rotation landscape.

Main Methods:

  • Utilized the Google Sycamore quantum processor.
  • Employed extensive error mitigation strategies.
  • Analyzed the complete parameter landscape of the Hartree-Fock optimization circuit.

Main Results:

  • Noise-induced errors and fidelity are not uniform across the orbital rotation landscape, even with error mitigation.
  • The accuracy of a single state is not representative of the accuracy across the entire variational space.
  • Identified significant variations in energy and total spin accuracy over the parameter landscape.

Conclusions:

  • Benchmarking parameterized quantum circuits requires a comprehensive analysis of the complete parameter landscape.
  • Current error mitigation strategies do not guarantee uniform accuracy across all possible states in a variational space.
  • A holistic approach is needed to gauge the overall accuracy of quantum computations in the presence of noise.