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The total amount of current flowing through one unit value of a cross-sectional area is referred to as current density. If the current flow is uniform, the amount of current flowing through a conductor is the same at all points along the conductor, even if the conductor area varies. The current density consists of the local magnitude and direction of the charge flow, which varies from point to point. Current density is measured in amperes per meter square, and direction is defined as the net...
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Diffusion Tensor Magnetic Resonance Imaging in the Analysis of Neurodegenerative Diseases
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Current density tensors.

Paolo Lazzeretti1

  • 1Istituto di Struttura della Materia, Consiglio Nazionale delle Ricerche, Via del Fosso del Cavaliere 100, 00133 Roma, Italy.

The Journal of Chemical Physics
|April 9, 2018
PubMed
Summary

Nonsymmetric second-rank current density tensors are fundamental molecular properties. They, along with other magnetic properties, fully describe a molecule's response to magnetic fields, revealing insights into electron delocalization.

Area of Science:

  • Quantum Chemistry
  • Molecular Spectroscopy
  • Computational Chemistry

Background:

  • Molecular properties are crucial for understanding chemical behavior.
  • Magnetic perturbations reveal intricate details about electronic structure.
  • Characterizing molecular response to magnetic fields requires comprehensive theoretical frameworks.

Purpose of the Study:

  • To establish nonsymmetric second-rank current density tensors as fundamental molecular properties.
  • To demonstrate their role in completely characterizing magnetic response.
  • To investigate the physical meaning of current density tensor invariants.

Main Methods:

  • Theoretical analysis of current density tensors.
  • Exploration of gauge invariance and tensor component resolution.

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  • Derivation of relationships between tensor components and induced current densities.

    • Main Results:

    • Nonsymmetric second-rank current density tensors are identified as fundamental.
    • These tensors, alongside magnetizability and shielding, fully define magnetic response.
    • The contribution of the deviatoric part to certain magnetic properties vanishes.
    • A link between anisotropy magnitude and electron delocalization is established.

    Conclusions:

    • Current density tensors are essential for a complete magnetic characterization of molecules.
    • The interplay between tensor components and induced currents dictates magnetic properties.
    • Investigating tensor invariants provides physical insights into molecular electronic structure and electron delocalization.