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The self-inductance of a circuit, often simply called the inductance, is a purely geometric factor that depends only on the circuit component's structure. More specifically, it depends on the shape and size of the component that lets the flux pass through it, thus inducing an electric field that opposes any current passing through it.
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Related Experiment Video

Updated: Aug 9, 2025

Operation of the Collaborative Composite Manufacturing CCM System
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Self-consistent implementation of locally scaled self-interaction-correction method.

Yoh Yamamoto1, Tunna Baruah1, Po-Hao Chang1

  • 1Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA.

The Journal of Chemical Physics
|February 15, 2023
PubMed
Summary
This summary is machine-generated.

The local self-interaction correction (LSIC) method improves density functional theory calculations by reducing self-interaction errors. This approach enhances accuracy for atomization energies, barrier heights, and bond lengths, outperforming standard methods.

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Area of Science:

  • Computational Chemistry
  • Quantum Chemistry
  • Materials Science

Background:

  • Self-interaction error is a significant limitation in standard density functional approximations (DFAs).
  • Existing self-interaction correction (SIC) methods, like Perdew-Zunger SIC (PZSIC), have limitations.
  • The local self-interaction correction (LSIC) method offers a promising alternative for correcting these errors.

Purpose of the Study:

  • To present the self-consistent implementation of the local self-interaction correction (LSIC) method.
  • To incorporate atomic forces and forces on Fermi-Löwdin orbitals within the LSIC framework.
  • To evaluate the performance of LSIC using simple density functionals against established methods.

Main Methods:

  • Implemented LSIC using the ratio of Weizsäcker and Kohn-Sham kinetic energy densities as an iso-orbital indicator.
  • Developed self-consistent calculations for the LSIC energy functional.
  • Included the computation of atomic forces and forces on Fermi-Löwdin orbitals.

Main Results:

  • LSIC combined with the simplest local spin density functional achieved superior atomization energies (AE6 dataset) compared to PBE.
  • LSIC demonstrated improved barrier heights (BH6 database) over hybrid functionals like PBE0 and B3LYP.
  • LSIC accurately predicted molecular bond lengths with a mean absolute error of 0.008 Å, outperforming PZSIC-LSDA and LSDA.

Conclusions:

  • The LSIC method effectively reduces self-interaction errors in density functional theory.
  • Accurate results can be achieved using simple density functionals when self-interaction errors are properly addressed by LSIC.
  • LSIC presents a viable and accurate approach for electronic structure calculations.