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N-electrons Dirac equation in Minkowski space and the Helium test

Ophelliam Loiselet

Published Sep 13, 2024• 0 citations
OpenAlex

Abstract

Quantum mechanics describes multi-electronic systems by using probabilistic theories (non-relativistic many-body Hamiltonian, Bethe-Salpeter equation, Breit equation, density functional theory and so on).All of these theories are approximations and provide a probabilistic conception of quantum mechanics, which prevents it to be compatible with general relativity (or "macro scale" physics).Indeed, the real observable world (or Minkowski space) is for us a 3D+time space but quantum mechanics is expressed in multi-dimensional Hilbert space, which is not physical but purely mathematical.In this article we try to make a relativistic equation that gives a correct description of atomic physics in the real space for N ≥ 2 electrons systems: i.e a N-electrons Dirac equation.The starting point is to use the wave mechanics concept of De Broglie and Schrödinger: considering the electron as a matter-wave.For this we start from the Hartree equation, which gives already a 3D space description of each electron wave function.Then we jump into Hartree-Fock theory, that takes into account the electron exchange and can be also expressed in 3D, thanks to Slater-Condon rules.By extending the concept of exchange potential to a relativistic 4-exchange potential, and doing the same for the electron-electron repulsion, kinetic and rest mass energy: we obtain a relativistic N electrons Dirac equation, in 3D+time space that takes into account relativistic and correlation effects.The non-relativistic, stationary, uncorrelated and scalar approximation will show the reduction of the N-electrons Dirac equation into Hartree-Fock equation.

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N-electrons Dirac equation in Minkowski space

Ophelliam Loiselet

Quantum mechanics describes multi-electronic system by using non-relativistic probabilistic theories (non-relativistic many-body Hamiltonian, Bethe-Salpeter equation, Breit equation, density functional theory and so on).All of these theories are approximations and provide a probabilistic conception of quantum mechanics, which prevents it to be compatible with general relativity (or "macro scale" physics).Indeed, the real observable world (or Minkowski space) is for us a 3D+time space but quantum mechanics is expressed in multi-dimensional Hilbert space, which is not physical but purely mathematical.In this article we try to make a relativistic equation that gives a correct description of atomic physics in the real three-dimensional space for N ≥ 2 electrons systems: i.e a N-electrons Dirac equation.The starting point is to use the wave mechanics concept of De Broglie and Schrödinger: considering the electron as a mini oscillating cloud or matter-wave.For this we start from the Hartree equation, which gives already a 3D space description of each electron wave function.Then we jump into Hartree-Fock theory, that takes into account the electron exchange and can be also expressed in 3D, thanks to Slater-Condon rules.By extending the concept of exchange potential to a relativistic 4-exchange potential, and doing the same for the electron-electron repulsion potential, we have obtained a relativistic N electrons Dirac equation, in 3D+time space, including new relativistic interactions.The non-relativistic equivalence to Hartree-Fock equations will be demonstrated, which shows that the equation is already correct to describe light atoms.

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Constructing a 2-electrons Dirac equation in Minkowski space

Ophelliam Loiselet

Abstract Quantum mechanics describes multi-electronic systems by using probabilistic theories. All of these theories provide a probabilistic conception of quantum mechanics, with an astonishing accuracy (for instance the Helium atom ground state is computed with more than 20 digits of accuracy) but unfortunately seems to be a bit “disconnected” with macro-scale physics. Indeed, the real observable world is for us a 3D+time Minkowski space but quantum mechanics is expressed in multi-dimensional Hilbert space: which is not intuitively physical but seems to be purely mathematical. In this article we try to construct a relativistic equation that gives an approximately correct description of atomic physics in the spacetime (i.e the “real space”) for 2 electrons systems: i.e a 2-electrons Dirac equation. The starting point is to use the wave mechanics concept of De Broglie and Schrödinger: considering the electron as a matter-wave. For this we start from the Hartree equation, which gives already a spacetime description of each electron wave function. Then, we switch to Hartree-Fock representation, which gives birth to the exchange potential, that can be also expressed in spacetime. By extending the concept of exchange potential to the relativistic 4-exchange: we obtain a relativistic 2-electrons spacetime Dirac-Hartree-Fock (STDHF) equation (i.e in Minkowski space). That equation takes into account relativistic effects but not correlation effects, which is the difficulty of this study. Then we will show the equivalence of the 2-electrons STDHF equation with the Hartree-Fock equation in non-relativistic, stationary and scalar regime. Electron correlation issues will be discussed as well.

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In this paper, based on previous work, we are trying to describe 2-electrons atom using a real space representation of each electrons and starting by the Lagrangian formalism. The very compact Lagrangian formalism allows us to unlock a new potential that could takes into account the electron correlation energy, which is the last piece that forbids to express quantum mechanics in the real 3D+time space.

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By means of a quantum mechanical phase space distribution function introduced by von Roos, the Schroedinger equation for a non-relativistic system of N identical particles with scalar interactions is transformed into a quantum mechanical generalization of the Liouville equation, thereby formulating the problem in terms of a generalized density in phase space, a quantity of primary interest in most treatments of the corresponding classical system (or plasma). This transformation permits a parallel development of the theories of classical and quantum plasmas and thus allows the quantum many-body problem to be discussed virtually completely in classical terms. In particular, a kinetic theory of quantum plasmas is obtained by deriving the quantum analogue of the BBGKY hierarchy, and applying thereto approximation techniques similar to those of Rostocker and Rosenbluth, and Bogoliubov. The point of departure from similar previous studies based on the Wigner distribution function is that the proper exchange symmetry can be tractably introduced into the formalism. Attention is first focused on the Hartree and Hartree-Fock approximations, in which case the quantum BBGKY system reduces to a simple quantum generalization of the Vlasov equation. This equation is used to study the response of spatially homogeneous systems to weak external forces, and the associated problems of plasmon and spin-wave excitations. It is also used to derive the quantum and exchange corrected equations of inviscid hydrodynamical transport which are then applied to the problem of sound propagation in the degenerate electron gas. The second part of the study is concerned with the theory of the many-electron atom in the Hartree and Hartree-Fock approximations. The relevant quantum Vlasov equations lead naturally to a statistical theory of the atom which reduces to the Thomas-Fermi-Amaldi and Thomas Fermi models (respectively) as ħ → 0. For ħ ≠ 0, the quantum and exchange corrections to these models are simultaneously generated. The quantum hydrodynamical theory developed earlier is used to determine the influence of these corrections on the boundary conditions of the model, and a theory of the compressed atom is consequently obtained. Considered in somewhat less detail are the effects of non-zero temperature, net orbital angular momentum, relativity and correlations, as well as time dependent processes. The final part deals with the problem of the degenerate electron gas with a uniform neutralizing background. Going beyond the Hartree-Fock approximation, the pair functions for particles with parallel and anti-parallel spin are obtained by neglecting three particle correlations. From these functions, a quantum-mechanical collision integral is derived which differs from that obtained by Silin and Guernsey and conjectured by Wyld and Pines in that dynamical exchange effects are included. Also obtained from the pair function is an expression for the correlation which reduces in the high density limit to the result of Gell-Mann and Brueckner. At intermediate densities an additional term appears in the energy due to the screening of the exchange interaction by the dielectric properties of the medium. It is evaluated in the high density limit and found to be -0.151 r_s ln r_s Ryd/electron in marked disagreement with the corresponding value obtained by DuBois.

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The Relativistic Configuration Space Formulation of the Multi-Electron Problem

Marian Günther

A relativistic configuration space (many-time) presentation of quantum electrodynamics is developed, which, being equivalent to the Tomonaga-Schwinger formalism, may be expected to have the advantage of its direct applicability to bound-state problems of multi-electron systems. The main purpose of this paper is therefore to get an evidently relativistically invariant description of the interactions between individual electrons, in such a way, however, as to avoid those divergence difficulties which may be accounted for by the use of electron plane waves for building up the actual state of the system. The order of the presentation is as follows: a general relativistically invariant proof of equivalence of the Tomonaga-Schwinger formalism and the many-time formalism of Dirac, Fock, and Podolski given in Sec. I will provide a necessary starting point for further generalization in the form of Eq. (53). This equation, when eventually solve in Sec. II, gives rise to a formal extension of the multi-electron wave function concept into regions for which the latter remained hitherto undefined. In Sec. III a method of elimination of virtual processes is outlined and invariant expressions for the multi-electron interactions are derived. All explicit derivations in this paper are carried out to terms of the order of ${e}^{2}$. An example, a relativistic two-electron wave equation, is given. This equation accounts for the Coulomb and Breit interactions.

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Ophelliam Loiselet

Copenhagen interpretation of quantum mechanics states that the wave function is not a real object, opposed to Schrödinger's electron cloud idea.Roger Boudet's theory shown that it is possible to represent electromagnetic radiation from a single electronic transition via the classical electromagnetism and the quantum transition currents between states, based on single electron (Schrödinger) wave function.This mathematically consistent theory can be seen as a potential concurrent to QED with accurate results for spontaneous emission coefficient but above all: it describes the photon electromagnetic field as we can observe it in laboratory.We want to extend this idea to multi-electronic system using 3D wave functions to describe electrons in atoms.The variational principle and the electron cloud model, we will show that we can represent quantum mechanics in real space using the Hartree equation, in a first approximation.We will provide an application for the determination of the ground state of the first five atoms.

•Jan 16, 2024•0 citations
Quantum mechanics describes multi-electronic systems by using probabilistic theories (non-relativistic many-body Hamiltonian, Bethe-Salpeter equation, Breit equation, density functional theory and so on).All of these theories are approximations and provide a probabilistic conception of quantum mechanics, which prevents it to be compatible with general relativity (or "macro scale" physics).Indeed, the real observable world (or Minkowski space) is for us a 3D+time space but quantum mechanics is expressed in multi-dimensional Hilbert space, which is not physical but purely mathematical.In this article we try to make a relativistic equation that gives a correct description of atomic physics in the real space for N ≥ 2 electrons systems: i.e a N-electrons Dirac equation.The starting point is to use the wave mechanics concept of De Broglie and Schrödinger: considering the electron as a matter-wave.For this we start from the Hartree equation, which gives already a 3D space description of each electron wave function.Then we jump into Hartree-Fock theory, that takes into account the electron exchange and can be also expressed in 3D, thanks to Slater-Condon rules.By extending the concept of exchange potential to a relativistic 4-exchange potential, and doing the same for the electron-electron repulsion, kinetic and rest mass energy: we obtain a relativistic N electrons Dirac equation, in 3D+time space that takes into account relativistic and correlation effects.The non-relativistic, stationary, uncorrelated and scalar approximation will show the reduction of the N-electrons Dirac equation into Hartree-Fock equation.
Quantum mechanics describes multi-electronic system by using non-relativistic probabilistic theories (non-relativistic many-body Hamiltonian, Bethe-Salpeter equation, Breit equation, density functional theory and so on).All of these theories are approximations and provide a probabilistic conception of quantum mechanics, which prevents it to be compatible with general relativity (or "macro scale" physics).Indeed, the real observable world (or Minkowski space) is for us a 3D+time space but quantum mechanics is expressed in multi-dimensional Hilbert space, which is not physical but purely mathematical.In this article we try to make a relativistic equation that gives a correct description of atomic physics in the real three-dimensional space for N ≥ 2 electrons systems: i.e a N-electrons Dirac equation.The starting point is to use the wave mechanics concept of De Broglie and Schrödinger: considering the electron as a mini oscillating cloud or matter-wave.For this we start from the Hartree equation, which gives already a 3D space description of each electron wave function.Then we jump into Hartree-Fock theory, that takes into account the electron exchange and can be also expressed in 3D, thanks to Slater-Condon rules.By extending the concept of exchange potential to a relativistic 4-exchange potential, and doing the same for the electron-electron repulsion potential, we have obtained a relativistic N electrons Dirac equation, in 3D+time space, including new relativistic interactions.The non-relativistic equivalence to Hartree-Fock equations will be demonstrated, which shows that the equation is already correct to describe light atoms.
Abstract Quantum mechanics describes multi-electronic systems by using probabilistic theories. All of these theories provide a probabilistic conception of quantum mechanics, with an astonishing accuracy (for instance the Helium atom ground state is computed with more than 20 digits of accuracy) but unfortunately seems to be a bit “disconnected” with macro-scale physics. Indeed, the real observable world is for us a 3D+time Minkowski space but quantum mechanics is expressed in multi-dimensional Hilbert space: which is not intuitively physical but seems to be purely mathematical. In this article we try to construct a relativistic equation that gives an approximately correct description of atomic physics in the spacetime (i.e the “real space”) for 2 electrons systems: i.e a 2-electrons Dirac equation. The starting point is to use the wave mechanics concept of De Broglie and Schrödinger: considering the electron as a matter-wave. For this we start from the Hartree equation, which gives already a spacetime description of each electron wave function. Then, we switch to Hartree-Fock representation, which gives birth to the exchange potential, that can be also expressed in spacetime. By extending the concept of exchange potential to the relativistic 4-exchange: we obtain a relativistic 2-electrons spacetime Dirac-Hartree-Fock (STDHF) equation (i.e in Minkowski space). That equation takes into account relativistic effects but not correlation effects, which is the difficulty of this study. Then we will show the equivalence of the 2-electrons STDHF equation with the Hartree-Fock equation in non-relativistic, stationary and scalar regime. Electron correlation issues will be discussed as well.
By means of a quantum mechanical phase space distribution function introduced by von Roos, the Schroedinger equation for a non-relativistic system of N identical particles with scalar interactions is transformed into a quantum mechanical generalization of the Liouville equation, thereby formulating the problem in terms of a generalized density in phase space, a quantity of primary interest in most treatments of the corresponding classical system (or plasma). This transformation permits a parallel development of the theories of classical and quantum plasmas and thus allows the quantum many-body problem to be discussed virtually completely in classical terms. In particular, a kinetic theory of quantum plasmas is obtained by deriving the quantum analogue of the BBGKY hierarchy, and applying thereto approximation techniques similar to those of Rostocker and Rosenbluth, and Bogoliubov. The point of departure from similar previous studies based on the Wigner distribution function is that the proper exchange symmetry can be tractably introduced into the formalism. Attention is first focused on the Hartree and Hartree-Fock approximations, in which case the quantum BBGKY system reduces to a simple quantum generalization of the Vlasov equation. This equation is used to study the response of spatially homogeneous systems to weak external forces, and the associated problems of plasmon and spin-wave excitations. It is also used to derive the quantum and exchange corrected equations of inviscid hydrodynamical transport which are then applied to the problem of sound propagation in the degenerate electron gas. The second part of the study is concerned with the theory of the many-electron atom in the Hartree and Hartree-Fock approximations. The relevant quantum Vlasov equations lead naturally to a statistical theory of the atom which reduces to the Thomas-Fermi-Amaldi and Thomas Fermi models (respectively) as ħ → 0. For ħ ≠ 0, the quantum and exchange corrections to these models are simultaneously generated. The quantum hydrodynamical theory developed earlier is used to determine the influence of these corrections on the boundary conditions of the model, and a theory of the compressed atom is consequently obtained. Considered in somewhat less detail are the effects of non-zero temperature, net orbital angular momentum, relativity and correlations, as well as time dependent processes. The final part deals with the problem of the degenerate electron gas with a uniform neutralizing background. Going beyond the Hartree-Fock approximation, the pair functions for particles with parallel and anti-parallel spin are obtained by neglecting three particle correlations. From these functions, a quantum-mechanical collision integral is derived which differs from that obtained by Silin and Guernsey and conjectured by Wyld and Pines in that dynamical exchange effects are included. Also obtained from the pair function is an expression for the correlation which reduces in the high density limit to the result of Gell-Mann and Brueckner. At intermediate densities an additional term appears in the energy due to the screening of the exchange interaction by the dielectric properties of the medium. It is evaluated in the high density limit and found to be -0.151 r_s ln r_s Ryd/electron in marked disagreement with the corresponding value obtained by DuBois.
A relativistic configuration space (many-time) presentation of quantum electrodynamics is developed, which, being equivalent to the Tomonaga-Schwinger formalism, may be expected to have the advantage of its direct applicability to bound-state problems of multi-electron systems. The main purpose of this paper is therefore to get an evidently relativistically invariant description of the interactions between individual electrons, in such a way, however, as to avoid those divergence difficulties which may be accounted for by the use of electron plane waves for building up the actual state of the system. The order of the presentation is as follows: a general relativistically invariant proof of equivalence of the Tomonaga-Schwinger formalism and the many-time formalism of Dirac, Fock, and Podolski given in Sec. I will provide a necessary starting point for further generalization in the form of Eq. (53). This equation, when eventually solve in Sec. II, gives rise to a formal extension of the multi-electron wave function concept into regions for which the latter remained hitherto undefined. In Sec. III a method of elimination of virtual processes is outlined and invariant expressions for the multi-electron interactions are derived. All explicit derivations in this paper are carried out to terms of the order of e2{e}^{2}e2. An example, a relativistic two-electron wave equation, is given. This equation accounts for the Coulomb and Breit interactions.
Copenhagen interpretation of quantum mechanics states that the wave function is not a real object, opposed to Schrödinger's electron cloud idea.Roger Boudet's theory shown that it is possible to represent electromagnetic radiation from a single electronic transition via the classical electromagnetism and the quantum transition currents between states, based on single electron (Schrödinger) wave function.This mathematically consistent theory can be seen as a potential concurrent to QED with accurate results for spontaneous emission coefficient but above all: it describes the photon electromagnetic field as we can observe it in laboratory.We want to extend this idea to multi-electronic system using 3D wave functions to describe electrons in atoms.The variational principle and the electron cloud model, we will show that we can represent quantum mechanics in real space using the Hartree equation, in a first approximation.We will provide an application for the determination of the ground state of the first five atoms.