Self-consistent assessment of Englert-Schwinger model on atomic properties

Area of Science:

• Atomic physics
• Quantum chemistry
• Statistical mechanics

Background:

• The statistical atom model is crucial for understanding atomic properties.
• Existing models like Thomas-Fermi-Dirac (TFD)-λvW have limitations, particularly in the near-nucleus region.
• Accurate modeling of atomic potentials is essential for theoretical chemistry and physics.

Purpose of the Study:

• To investigate a self-consistent solution of the Englert-Schwinger (ES) statistical atom model.
• To benchmark the ES model against atomic Kohn-Sham and TFD-λvW models.
• To identify areas for improvement in current statistical atom models.

Main Methods:

• Self-consistent solution of the ES statistical atom model.
• Benchmarking against atomic Kohn-Sham and TFD-λvW models.
• Analysis of Pauli potential accuracy, especially in the near-nucleus region.

Main Results:

• The ES model demonstrates comparable accuracy to the TFD-15vW model.
• The ES model successfully corrects the Pauli potential failure near the nucleus.
• The study identifies the description of low-Z atoms as a key area for model enhancement.

Conclusions:

• The ES model offers a viable and accurate alternative for statistical atom modeling.
• Improvements in describing low-Z atoms are necessary for advancing statistical atom models.
• The ES model's success in correcting near-nucleus Pauli potential issues is a significant step forward.