Quantum‐Mechanical Definition of the Classical Scalar Potential in Schrödinger‐Pauli and Schrödinger Theory

ABSTRACT According to the Bohr correspondence principle, the external temporal scalar potential in the classical equation of motion is replicated in quantum theory as a multiplicative operator. An equivalent quantum‐mechanical definition of the scalar potential in Schrödinger‐Pauli/Schrödinger theory is provided. The potential is a known universal functional of the wave function . At each instant of time, it is the work done in a conservative “classical” field representative of internal properties of the system: Pauli and Coulomb correlations, kinetic effects, the density, the Lorentz force, an internal magnetic component, and the current density response. The Hamiltonians are thus rewritten in a new physical manner indicative of these properties. An application to the triplet state of a 2‐electron semiconductor quantum dot in a magnetic field is provided. The significance of the definition to the Hohenberg‐Kohn theorem, and its relationship to Quantum and Kohn‐Sham density functional theory, is discussed.

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Publication Details

Journal
International Journal of Quantum Chemistry
Published
2025-08-18
DOI
https://doi.org/10.1002/qua.70096
Primary Topic
Quantum Mechanics and Applications
Type
article
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article

Quantum‐Mechanical Definition of the Classical Scalar Potential in Schrödinger‐Pauli and Schrödinger Theory

Viraht Sahni
International Journal of Quantum Chemistry
Quantum Mechanics and Applications
article

Quantum‐Mechanical Definition of the Classical Scalar Potential in Schrödinger‐Pauli and Schrödinger Theory

Viraht Sahni
article en

Abstract

ABSTRACT According to the Bohr correspondence principle, the external temporal scalar potential in the classical equation of motion is replicated in quantum theory as a multiplicative operator. An equivalent quantum‐mechanical definition of the scalar potential in Schrödinger‐Pauli/Schrödinger theory is provided. The potential is a known universal functional of the wave function . At each instant of time, it is the work done in a conservative “classical” field representative of internal properties of the system: Pauli and Coulomb correlations, kinetic effects, the density, the Lorentz force, an internal magnetic component, and the current density response. The Hamiltonians are thus rewritten in a new physical manner indicative of these properties. An application to the triplet state of a 2‐electron semiconductor quantum dot in a magnetic field is provided. The significance of the definition to the Hohenberg‐Kohn theorem, and its relationship to Quantum and Kohn‐Sham density functional theory, is discussed.

International Journal of Quantum ChemistryVol. 125(17)
The Graduate Center, CUNY (US), City University of New York (US), Brooklyn College (US)
Openalex Percentile: Top 84%
Quantum Mechanics and Applications
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Quantum‐Mechanical Definition of the Classical Scalar Potential in Schrödinger‐Pauli and Schrödinger Theory — Viraht Sahni · International Journal of Quantum Chemistry (2025) | TGRS Research Map | TGRS