Atomic shell structure from an orbital-free-related density-functional-theory Pauli potential

• Published in: arXiv.org
• Main Author: Thompson, Russell B
• Format: Paper Journal Article
• Language: English
• Published: Ithaca Cornell University Library, arXiv.org 28.11.2022
• Subjects: Approximation; Atomic structure; Atoms & subatomic particles; Binding energy; Field theory; Mathematical analysis; Mathematical models; Pauli exclusion principle; Periodic table; Physics - Atomic Physics; Physics - Chemical Physics; Physics - Quantum Physics; Polymers; Quantum mechanics; Radial basis function; Self consistent fields; Shells (structural forms); Statistical mechanics; Thermodynamics; Uncertainty principles

Polymer self-consistent field theory techniques are used to find radial electron densities and total binding energies for isolated atoms. Quantum particles are modelled as Gaussian threads with ring-polymer architecture in a four dimensional thermal-space, and a Pauli potential is postulated based o...