A quantum field theory of polarization propagators

We present a field-theoretical quantum formalism to describe the space-time response of molecular electronic systems to external, particle-number-conserving perturbations. This work continues previous developments in which polarization propagators were obtained from the path-integral formalism, and an effective model to incorporate QED effects was proposed. A central result of the present study is the emergence of hard-core boson quasiparticles as excitations of quantum fields. By establishing a formal correspondence between one-electron excitation and de-excitation operators and virtual hard-core boson-like quasiparticles, we provide a direct link to polarization propagators through the Feynman propagator of the quasiparticle field. We also outline a likely connection between these quasiparticles and the entanglement of localized molecular orbital excitations.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-01-02
DOI
https://doi.org/10.1063/5.0305457
Primary Topic
Advanced Physical and Chemical Molecular Interactions
Type
article
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article

A quantum field theory of polarization propagators

Gustavo A. Aucar, Mariano T. Colombo Jofré
The Journal of Chemical Physics
Advanced Physical and Chemical Molecular Interactions
article

A quantum field theory of polarization propagators

Gustavo A. Aucar, Mariano T. Colombo Jofré
article en

Abstract

We present a field-theoretical quantum formalism to describe the space-time response of molecular electronic systems to external, particle-number-conserving perturbations. This work continues previous developments in which polarization propagators were obtained from the path-integral formalism, and an effective model to incorporate QED effects was proposed. A central result of the present study is the emergence of hard-core boson quasiparticles as excitations of quantum fields. By establishing a formal correspondence between one-electron excitation and de-excitation operators and virtual hard-core boson-like quasiparticles, we provide a direct link to polarization propagators through the Feynman propagator of the quasiparticle field. We also outline a likely connection between these quasiparticles and the entanglement of localized molecular orbital excitations.

The Journal of Chemical PhysicsVol. 164(1)
National University of the Northeast (AR)
Openalex Percentile: Top 98%
Advanced Physical and Chemical Molecular Interactions
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