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

Properties of Fourier series II01:21

Properties of Fourier series II

Time scaling of signals is a crucial concept in signal processing that affects the Fourier series representation without altering its coefficients. The process modifies the fundamental frequency, thereby changing how the series represents the signal over time. This principle is essential in various applications, including audio and image processing, where signal manipulation is frequent. Understanding function symmetries is fundamental to simplifying the Fourier series.
A function f(t) is...
Gauss's Law: Cylindrical Symmetry01:20

Gauss's Law: Cylindrical Symmetry

A charge distribution has cylindrical symmetry if the charge density depends only upon the distance from the axis of the cylinder and does not vary along the axis or with the direction about the axis. In other words, if a system varies if it is rotated around the axis or shifted along the axis, it does not have cylindrical symmetry. In real systems, we do not have infinite cylinders; however, if the cylindrical object is considerably longer than the radius from it that we are interested in,...
Symmetry in Maxwell's Equations01:28

Symmetry in Maxwell's Equations

Once the fields have been calculated using Maxwell's four equations, the Lorentz force equation gives the force that the fields exert on a charged particle moving with a certain velocity. The Lorentz force equation combines the force of the electric field and of the magnetic field on the moving charge. Maxwell's equations and the Lorentz force law together encompass all the laws of electricity and magnetism. The symmetry that Maxwell introduced into his mathematical framework may not be...
Gauss's Law: Spherical Symmetry01:26

Gauss's Law: Spherical Symmetry

A charge distribution has spherical symmetry if the density of charge depends only on the distance from a point in space and not on the direction. In other words, if the system is rotated, it doesn't look different. For instance, if a sphere of radius R is uniformly charged with charge density ρ0, then the distribution has spherical symmetry. On the other hand, if a sphere of radius R is charged so that the top half of the sphere has a uniform charge density ρ1 and the bottom half has a uniform...
Symmetric Member in Bending01:07

Symmetric Member in Bending

In the study of the mechanics of materials, analyzing the behavior of prismatic members under opposing couples is crucial for understanding internal stress distributions, which are essential for structural design. When subjected to couples, a prismatic member experiences internal forces that maintain equilibrium. A couple, characterized by two equal and opposite forces, creates a moment but no resultant force. The internal forces at any section cut of the member must balance these external...
Standing Waves01:17

Standing Waves

Sometimes waves do not seem to move; rather, they just vibrate in place. Unmoving waves can be seen on the surface of a glass of milk kept in a refrigerator, which is one example of standing waves. Vibrations from the refrigerator motor create waves on the milk that oscillate up and down but do not seem to move across the surface. These waves are formed or created by the superposition of two or more identical moving waves in opposite directions. The waves move through each other, with their...

You might also read

Related Articles

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

Sort by
Same author

Aufbau-Suppressed Coupled Cluster Theory for Doubly Excited States.

Journal of chemical theory and computation·2026
Same author

One-Body Properties and Their Perturbative Accuracy with Aufbau Suppressed Coupled Cluster Theory.

Journal of chemical theory and computation·2026
Same author

Reducing the Cost of Energy Differences in Variational Monte Carlo with Spotlight Sampling.

Journal of chemical theory and computation·2025
Same author

Aufbau Suppressed Coupled Cluster As a Post-Linear-Response Method.

Journal of chemical theory and computation·2025
Same author

An excitation matched local correlation approach to excited state specific perturbation theory.

The Journal of chemical physics·2025
Same author

Fast and Accurate Charge Transfer Excitations via Nested Aufbau Suppressed Coupled Cluster.

The journal of physical chemistry letters·2025

Related Experiment Video

Updated: May 16, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Size consistency error in the antisymmetric geminal power wave function can be completely removed.

Eric Neuscamman1

  • 1Department of Chemistry, University of California, Berkeley, California 94720, USA. eric.neuscamman@gmail.com

Physical Review Letters
|December 11, 2012
PubMed
Summary

Researchers developed a size-consistent method using Jastrow factors to approximate geminal ansatz products, improving accuracy in electronic structure calculations. This approach overcomes limitations of previous methods, offering a more reliable way to study molecular properties.

More Related Videos

Detection of Architectural Distortion in Prior Mammograms via Analysis of Oriented Patterns
13:44

Detection of Architectural Distortion in Prior Mammograms via Analysis of Oriented Patterns

Published on: August 30, 2013

The Generation of Higher-order Laguerre-Gauss Optical Beams for High-precision Interferometry
12:14

The Generation of Higher-order Laguerre-Gauss Optical Beams for High-precision Interferometry

Published on: August 12, 2013

Related Experiment Videos

Last Updated: May 16, 2026

Generation and Coherent Control of Pulsed Quantum Frequency Combs
06:42

Generation and Coherent Control of Pulsed Quantum Frequency Combs

Published on: June 8, 2018

Detection of Architectural Distortion in Prior Mammograms via Analysis of Oriented Patterns
13:44

Detection of Architectural Distortion in Prior Mammograms via Analysis of Oriented Patterns

Published on: August 30, 2013

The Generation of Higher-order Laguerre-Gauss Optical Beams for High-precision Interferometry
12:14

The Generation of Higher-order Laguerre-Gauss Optical Beams for High-precision Interferometry

Published on: August 12, 2013

Area of Science:

  • Quantum chemistry
  • Computational physics
  • Electronic structure theory

Background:

  • The geminal ansatz provides accurate electronic wavefunctions but is computationally expensive.
  • Approximations like the geminal power sacrifice size consistency, a crucial property for accurate calculations.

Purpose of the Study:

  • To develop a size-consistent and computationally feasible approximation to the geminal ansatz.
  • To address the issue of charge fluctuations that lead to size inconsistency in electronic structure calculations.

Main Methods:

  • Utilized a network of location-specific Jastrow factors.
  • Employed variational energy minimization.
  • Demonstrated analytical and numerical validation.

Main Results:

  • Achieved a size-consistent form similar to the product of geminals.
  • The method effectively removes charge fluctuations via particle number projections.
  • Captured strong many-electron correlations with a maximum error of 1.8 kcal/mol during H2O double-bond dissociation.

Conclusions:

  • The proposed Jastrow factor network offers a size-consistent and accurate alternative to the geminal ansatz.
  • This polynomial-cost approach enables reliable calculations of systems with strong electron correlations.
  • The method shows promise for accurate molecular property predictions in computational chemistry.