Existence of atoms and molecules in the mean-field approximation of no-photon quantum electrodynamics

DOI10.1007/S00205-008-0144-2MaRDI QIDQ834743zbMATH OpenOpenAlexFDO

Authors C. Hainzl, M. Lewin, Éric Séré

Publication date 27 August 2009

Published in Archive for Rational Mechanics and Analysis (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/math-ph/0606001

zbMATH Keywords

energy functionalHartree-Fock ground statequantum electrodynamics

Mathematics Subject Classification ID

Variational principles of physics (49S05) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Atomic physics (81V45) Molecular physics (81V55)

Abstract: The Bogoliubov-Dirac-Fock (BDF) model is the mean-field approximation of no-photon Quantum Electrodynamics. The present paper is devoted to the study of the minimization of the BDF energy functional under a charge constraint. An associated minimizer, if it exists, will usually represent the ground state of a system of $N$ electrons interacting with the Dirac sea, in an external electrostatic field generated by one or several fixed nuclei. We prove that such a minimizer exists when a binding (HVZ-type) condition holds. We also derive, study and interpret the equation satisfied by such a minimizer. Finally, we provide two regimes in which the binding condition is fulfilled, obtaining the existence of a minimizer in these cases. The first is the weak coupling regime for which the coupling constant $alpha$ is small whereas $alphaZ$ and the particle number $N$ are fixed. The second is the non-relativistic regime in which the speed of light tends to infinity (or equivalently $alpha$ tends to zero) and $Z$, $N$ are fixed. We also prove that the electronic solution converges in the non-relativistic limit towards a Hartree-Fock ground state.

Review text

This paper is devoted to the study of minimization of the Bogoliubov-Dirac-Fock energy functional under a charge constraint. It is proved that such a minimizer exists when a binding condition holds. The equations satisfied by such a minimizer is studied and interpreted. Two regimes are provided in which the binding condition is fulfilled.

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Cited in

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