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

Time-dependent density functional calculation of e-H scattering.

Meta van Faassen1, Adam Wasserman, Eberhard Engel

  • 1Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, New Jersey 08854-8087, USA.

Physical Review Letters
|August 7, 2007
PubMed
Summary
This summary is machine-generated.

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

Approximate Normalizations for Approximate Density Functionals.

Physical review letters·2026
Same author

Spin-Density Functional Regularization for Singlet Diradicals.

Journal of chemical theory and computation·2025
Same author

Biological characterization of AB-343, a novel and potent SARS-CoV-2 M<sup>pro</sup> inhibitor with pan-coronavirus activity.

Antiviral research·2024
Same author

Stretching Bonds without Breaking Symmetries in Density Functional Theory.

The journal of physical chemistry letters·2024
Same author

Strong electron correlation from partition density functional theory.

The Journal of chemical physics·2023
Same author

Split electrons in partition density functional theory.

The Journal of chemical physics·2022
Same journal

Erratum: Bacterial Turbulence at Compressible Fluid Interfaces [Phys. Rev. Lett. 136, 138301 (2026)].

Physical review letters·2026
Same journal

Unveiling Light-Quark Yukawa Flavor Structure via Dihadron Fragmentation at Lepton Colliders.

Physical review letters·2026
Same journal

Adaptable Route to Fast Coherent State Transport via Bang-Bang-Bang Protocols.

Physical review letters·2026
Same journal

Topological Transition and Emergence of Elasticity of Dislocation in Skyrmion Lattice: Beyond Kittel's Magnetic-Polar Analogy.

Physical review letters·2026
Same journal

Pound-Drever-Hall Method for Superconducting-Qubit Readout.

Physical review letters·2026
Same journal

Coupling a ^{73}Ge Nuclear Spin to an Electrostatically Defined Quantum Dot in Silicon.

Physical review letters·2026
See all related articles

Phase shifts for electron-atom scattering were calculated using time-dependent density functional theory. This method accurately approximates potentials, yielding good scattering phase shifts for the hydrogen negative ion.

Area of Science:

  • Atomic and Molecular Physics
  • Quantum Chemistry
  • Computational Physics

Background:

  • Electron-atom scattering is fundamental to understanding atomic and molecular processes.
  • Accurate calculation of phase shifts is crucial for predicting scattering outcomes.
  • Time-dependent density functional theory (TDDFT) offers a computationally tractable approach.

Purpose of the Study:

  • To derive phase shifts for single-channel elastic electron-atom scattering.
  • To evaluate the performance of TDDFT approximations for electron-atom scattering.
  • To investigate the scattering properties of the H- ion.

Main Methods:

  • Utilized time-dependent density functional theory (TDDFT).
  • Confined the H- ion within a spherical box to define a discrete spectrum.

Related Experiment Videos

  • Calculated phase shifts from the discrete spectrum.
  • Employed exact exchange and adiabatic local density approximation (ALDA) for exchange-correlation potentials.

    • Main Results:

    • Phase shifts were successfully derived for electron-H- scattering.
    • Exact exchange provided an excellent approximation to the ground-state Kohn-Sham potential.
    • The ALDA yielded good singlet and triplet phase shifts.

    Conclusions:

    • TDDFT, particularly with exact exchange, is a viable method for calculating electron-atom scattering phase shifts.
    • The study successfully determined scattering properties for the H- ion.
    • Approximations within TDDFT show promise for future scattering calculations.