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Alternatives to the electron density for describing Coulomb systems

Paul W Ayers1, Agnes Nagy

  • 1Department of Chemistry, McMaster University, Hamilton, Ontario, L8S 4M1, Canada. ayers@mcmaster.ca

The Journal of Chemical Physics
|April 21, 2007
PubMed
Summary

Researchers propose using local kinetic energy as a fundamental descriptor for molecular systems, offering an alternative to complex electron density functionals. This approach may provide chemically relevant insights into electronic structure.

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