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arXiv:2403.16103 · Journal of Physics A Mathematical and Theoretical

Quantum field theory of electrons and nuclei

Ville J. Härkönen

Published Oct 22, 2024• 5 citations
arXivHTMLPDF

Abstract

Abstract We develop a non-relativistic quantum field theory of electrons and nuclei with Coulomb interactions. We derive the exact equations of motion and write these equations in the form of Hedin’s equations for all species of identical particles involved. Theory derived allows the computation of exact observables and provides a rigorous starting point to derive approximations in a systematic way.

DOI
10.1088/1751-8121/ad8a2c

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Abstract We develop a non-relativistic quantum field theory of electrons and nuclei with Coulomb interactions. We derive the exact equations of motion and write these equations in the form of Hedin’s equations for all species of identical particles involved. Theory derived allows the computation of exact observables and provides a rigorous starting point to derive approximations in a systematic way.
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We give here a field-theoretical derivation of the Hamiltonian of the non-relativistic quantum electrodynamics in the Coulomb gauge using the Lagrange formalism. It leads to the same result as the usual derivation, where one just replaces the classical vector potential in the minimal coupling of the second quantized electron Hamiltonian by the quantized one and adds the photon energy. This approach illustrates however the proper use of the Euler-Lagrange equations and the canonical formalism that fail if one tries to build up the many-body quantum theory starting from the classical theory of point-like particles interacting with electromagnetic fields.
We describe here the coherent formulation of electromagnetism in the nonrelativistic quantummechanical many-body theory. We use the mathematical frame of the field theory and its quantization in the spirit of the QED. This is necessary because of the manifold of misinterpretations emerging from the hystorical development of quantum mechanics, starting from the Schrödinger equation of a single particle in the presence of given electromagnetic fields, followed by the many-body theories of many charged identical particles having just Coulomb interactions inspired from the classical electromagnetic theory of point-like charges. However, this later is known to be inconsistent due to the self-interaction. This way could not be continued further to include properly the magnetic forces between the charged particles and lead to a lot of confusion about the interpretation of the magnetic field in the Hamiltonian, as well as about the gauge invariance. We emphasize the importance of the distinction between the applied (external fields) and the field in the matter. All these problems are length properly solved within the non-relativistic QED, nevertheless the confusion dominates in all the problems related to the magnetic properties of the solid state.
The aim of relativistic quantum mechanics is to describe the finer details of the structure of atoms and molecules, where relativistic effects become nonnegligible. It is a sort of intermediate realm, between the familiar nonrelativistic quantum mechanics and fully relativistic quantum field theory, and thus it lacks the simplicity and elegance of both. Yet it is a necessary tool, mostly for quantum chemists. Pilkuhn's book offers to this audience an up-to-date survey of these methods, which is quite welcome since most previous textbooks are at least ten years old. The point of view of the author is to start immediately in the relativistic domain, following the lead of Maxwell's equations rather than classical mechanics, and thus to treat the nonrelativistic version as an approximation. Thus Chapter 1 takes off from Maxwell's equations (in the noncovariant Coulomb gauge) and gradually derives the basic aspects of Quantum Mechanics in a rather pedestrian way (states and observables, Hilbert space, operators, quantum measurement, scattering,. Chapter 2 starts with the Lorentz transformations, then continues with the Pauli spin equation and the Dirac equation and some of their applications (notably the hydrogen atom). Chapter 3 is entitled `Quantum fields and particles', but falls short of treating quantum field theory properly: only creation/annihilation operators are considered, for a particle in a box. The emphasis is on two-electron states (the Pauli principle, the Foldy--Wouthuysen elimination of small components of Dirac spinors, Breit projection operators. Chapter 4 is devoted to scattering theory and the description of relativistic bound states. Chapter 5, finally, covers hyperfine interactions and radiative corrections. As we said above, relativistic quantum mechanics is by nature limited in scope and rather inelegant and Pilkuhn's book is no exception. The notation is often heavy (mostly noncovariant) and the mathematical level rather low. The central topic is the description of atoms and molecules, including relativistic effects. The author fulfils this program in a reasonable way and offers a valuable tool to the targeted audience. I am not overly enthusiastic about the end result, but I might be prejudiced. Clearly, going further would require the full power of quantum field theory, but this is clearly beyond the scope of the book.
Abstract Starting with the equation of motion for the field operator ψ(x,t) of an interacting many-particle system, the n-particle Green’s function (Gn) equation of motion is developed, with interparticle interactions generating an infinite chain of equations coupling it to (n+1)- and (n−1)-particle Green’s functions (Gn+1 and Gn−1, respectively). Particularly important are the one-particle Green’s function equation with its coupling to the two-particle Green’s function and the two-particle Green’s function equation with its coupling to the three-particle Green’s function. To develop solutions, it is necessary to introduce non-correlation decoupling procedures involving the Hartree and Hartree-Fock approximations for G2 in the G1 equation; and a similar factorization “ansatz” for G3 in the G2 equation, resulting in the Sum of Ladder Diagrams integral equation for G2, with multiple Born iterates and finite collisional lifetimes. Similar treatment of the G11-equation for the joint propagation of one-electron and one-hole subject to mutual Coulomb attraction leads to bound electron-hole exciton states having a discrete hydrogen like spectrum of energy eigenstates. Its role in single-particle propagation is also discussed in terms of one-electron self-energy Σ and the T-matrix
In this chapter, we derived some elements of quantum mechanics, which are essential for the further development of our theory: the momentum of a system of Fermions in the second quantization, the coordinate and momentum of a harmonic oscillator as a unique operator at two different moments of time, Boson and Fermion operator algebra, coherent states, the electron-field interaction, the quantization of the electromagnetic field, Boson and Fermion distributions, and densities of states in a degenerate, or a non-degenerate system of Fermions. Our starting point is the wave nature of a quantum particle, the Hamiltonian equations were obtained as group velocities in the two conjugate spaces of the wave, of the coordinates and of the momentum. In this way, the Schr¨odinger equation and the electron-field potential of interaction are obtained from quantum equations generated by the particle wave function.