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 Experiment Videos

Momentum-space properties from coordinate-space electron density.

Manoj K Harbola1, Rajendra R Zope, Anjali Kshirsagar

  • 1Department of Physics, Indian Institute of Technology, Kanpur 208 016, India.

The Journal of Chemical Physics
|June 11, 2005
PubMed
Summary

Researchers developed a method to link electron density to momentum properties without needing the complex many-electron wave function. This approach enables accurate calculations of momentum-space properties directly from electron density.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Semi-universal solution of the Thomas-Fermi equation for neutral jellium spheres.

The Journal of chemical physics·2026
Same author

Cardiac resynchronization therapy with or without atrioventricular node ablation in atrial fibrillation: the CAAN-AF trial.

European heart journal·2026
Same author

Electrophysiological predictors of super-response to left bundle branch area pacing in nonischemic cardiomyopathy: The PRECISION LBBAP study.

Heart rhythm·2026
Same author

Pulsed field ablation's edge: matching efficacy, minimizing hazards.

European heart journal·2026
Same author

Polarizability of Polymers Using One-Electron Self-Interaction-Corrected Density Functional Methods.

The journal of physical chemistry. A·2025
Same author

Update on first-in-human experience of high-energy ElectroPulse pulsed field ablation.

Heart rhythm·2025

Area of Science:

  • Quantum Chemistry
  • Computational Physics
  • Atomic Physics

Background:

  • Electron density and electron momentum density are key quantum mechanical properties.
  • Direct experimental determination of their connection requires the complex many-electron wave function.

Purpose of the Study:

  • To develop a general theoretical scheme connecting coordinate-space electron density to momentum-space properties.
  • To enable calculation of momentum properties directly from electron density, bypassing the many-electron wave function.

Main Methods:

  • Utilized a variant of the constrained-search formulation from density-functional theory.
  • Developed a general scheme applicable to arbitrary external potentials.
  • Applied the scheme to calculate Compton profiles and expectation values.

Related Experiment Videos

Main Results:

  • Demonstrated a viable method to derive momentum-space properties from coordinate-space electron density.
  • Successfully illustrated the scheme for ground-state He, Be, Ne, and an excited state of He.
  • Obtained accurate Compton profiles and values.

Conclusions:

  • The developed scheme provides a practical route to accessing momentum-space information from readily available electron densities.
  • This method simplifies the study of electron momentum properties in atoms and potentially other systems.