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.
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.
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.
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.
The starting point of this research is a representation of a quantum particle according to the Schrodinger equation of the conventional quantum mechanics. In this representation, a quantum particle is described by a wave packet in the coordinate space and the conjugated wave packet in the momentum space. The problem is that while in the coordinate space the group velocity is in agreement with one of the Hamilton equations, the group velocity in the momentum space is in contradiction with the other Hamilton equation - a minus sign is missing. Group velocities in agreement with the Hamilton equations are obtained only when in the time dependent phase of a quantum particle wave packet, instead of the Hamiltonian coming from the conventional Schrodinger equation, the Lagrangian is considered. This suggests us to consider the relativistic Lagrangian in the time dependent phase. In this way, the conventional relativistic principle of invariance of the time-space interval gets the more physically understandable form of the invariance of the time dependent phase of a quantum particle - the time dependent phase of a quantum particle is the same in any system of coordinates. Based on the relativistic time dependent phase invariance of a quantum particle, from the group velocities of this particle the relativistic kinematics and dynamics are obtained. The interaction with an electromagnetic field is described by a modification of the time dependent phase with a scalar potential conjugated to time and a vector potential conjugated to the space coordinates. In this paper, we find that, according to the formalism of the general relativity, any matter element in a field of forces is accelerated only perpendicularly to its velocity. This means that the matter propagation of a quantum particle can be conceived in planes perpendicular to velocity, while the mater distribution can be considered in a Fourier representation - quantum waves. We study the quantum particle dynamics in gravitational waves and derive the graviton spin. We consider a quantum particle in electromagnetic field and obtain a Schrödinger-Dirac-type equation, with additional terms describing the velocity dependence of the particle dynamics.
The search for a theory of the elementary particles which is founded on the well-established principles of quantum mechanics and conforms at the same time with the requirements of the principle of relativity has, in recent years, taken several divergent directions. On the one hand, the second quantization of wave fields derived from a Lagrangian by a variational procedure(1) has succeeded in accounting for the existence and most of the properties of the electron, the photon, and the meson. On the other hand, many generalizations of the Dirac wave equation of the electron(2) have been attempted, with applications to the meson(3) and the proton(4). Heisenberg(5) has considered the much more difficult problem of the interaction between different particles, and has found that the key to the situation is the so-called ‘scattering matrix’, which is nothing other than a limiting form of the relativistic density matrix, as defined in § 2 of this paper. It seems probable that the relativistic density matrix ρ; or statistical operator, as it may be called without reference to representation, will play an important part in relativistic quantum mechanics in the future. It satisfies the same equation as the wave function, but differs from it in being a real linear operator, or a dynamical variable, in the terminology of Dirac.
Here I present a new discrete model of quantum mechanics for relativistic 1-electron systems, in which particle movement is described by a directed space-time graph with attached 4-spinors, but without any continuous wave functions. These graphs only consist of few space-like edges, e.g. the ground state of atoms is described by two nodes and one edge, and interactions only take place at the nodes. The fundament is an extremal principle for a relativistic invariant "Lagrangian sum", from which "field-equations" and "equations of motion" are derived, so the states (including the graph nodes) are completely determined. As important validations of the model, the corresponding graphs for the stationary Dirac-equation for the atom are drawn and the correct spectra are computed (Sommerfeld-levels). Also a discrete Schroedinger approximation and an associated "Hamiltonian sum" are derived and the correct equation of a classical moving particle under Lorentz-force is presented. I hope, that this new approach will help, to overcome some problems of current quantum mechanics by making the wave function superfluous.