2019/09/14 by Viraht Sahni, Sahni, Viraht
Chemistry · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Atomic and Molecular Physics #FOS: Physical sciences #Quantum Physics (quant-ph) #Quantum and Classical Electrodynamics #Quantum and electron transport phenomena
paper · pdf · doi:10.48550/arxiv.1909.09692
openalex publication_date 2019/09/14 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Schr "odinger-Pauli (SP) theory is a description of electrons in the\npresence of a static electromagnetic field in which the interaction of the\nmagnetic field with both the orbital and spin moments is explicitly considered.\nThe theory is described from a new perspective, viz. that of the individual\nelectron via its equation of motion or `Quantal Newtonian' first law. The law\nleads to new physical and mathematical insights into the theory. The law is in\nterms of `classical' fields whose sources are quantum mechanical expectation\nvalues of Hermitian operators taken with respect to the system wave function.\nThe law states that each electron experiences an external and an internal\nfield, the sum of which vanish. The external field is the sum of the\nelectrostatic and a Lorentz field. The internal field is a sum of fields: the\nelectron-interaction, differential density, kinetic, and internal magnetic\nfields. These fields are respectively representative of a property of the\nsystem: electron correlations due to the Pauli exclusion principle and Coulomb\nrepulsion, the electron density, kinetic effects, and the physical current\ndensity. The energy components can be expressed in integral virial form in\nterms of these fields. The law leads to the further understanding that the\nHamiltonian is an exactly known and universal functional of the wave function.\nThis allows for the generalization of the SP equation, which then proves it to\nbe intrinsically self-consistent. A Quantal density functional (local effective\npotential) theory of the SP system is developed. Further generalizations of the\npresent work to the temporal case, and relativistic Dirac theory are proposed.\n