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Journal of Computational Chemistry

New aspects of quantum electrodynamics on electronic structure and dynamics

Akitomo Tachibana

Published Oct 9, 2018• 1 citation
Publisher

Abstract

Application of Alpha-oscillator theory to quantum electrodynamics (QED) solves the mystery (Feynman) of the double-slit phenomenon involved in the foundation of quantum mechanics (QM). Even if with the same initial condition given, different spots on the screen can be predicted deterministically with no introduction of hidden variables. The interference pattern is similar to, but cannot be reproduced quantitatively by, that of the QM wave function, contrary to many-years-anticipation: a new prediction, awaiting experimental test over and above the Bohr-Einstein gedanken experiment. The general proof has already been published in Ref. [3a] and the concrete numerical algorithm of the extended normal mode technique for concrete trajectory of one electron in Ref. [3b]. In this article, (1) the new "interpretation" of the QED wave function is given in section "Interpretation of Wave Function in QED": the QED wave function used in the extended normal mode technique gives probability density distribution function of the initial values of trajectories. Moreover, (2) for the sake of demonstration of this new interpretation, the time-independent stationary state QM wave function is substituted to the QED wave function in section "Internal Self-Stress of Energetic Particles": the QED wave function is realized by internal self-stress revealed as energy density at the initial conditions. The renewed energy density is applied to study a unified scheme for generalized chemical reactivity. This is a new kind of chemical force acting in between electrons not in between nuclei. This paves a way for more advanced time-dependent simulation of electronic structure and dynamics in chemical reaction dynamics by tracing trajectories of many electrons. © 2018 Wiley Periodicals, Inc.

DOI
10.1002/jcc.25600

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Application of Alpha-oscillator theory to quantum electrodynamics (QED) solves the mystery (Feynman) of the double-slit phenomenon involved in the foundation of quantum mechanics (QM). Even if with the same initial condition given, different spots on the screen can be predicted deterministically with no introduction of hidden variables. The interference pattern is similar to, but cannot be reproduced quantitatively by, that of the QM wave function, contrary to many-years-anticipation: a new prediction, awaiting experimental test over and above the Bohr-Einstein gedanken experiment. The general proof has already been published in Ref. [3a] and the concrete numerical algorithm of the extended normal mode technique for concrete trajectory of one electron in Ref. [3b]. In this article, (1) the new "interpretation" of the QED wave function is given in section "Interpretation of Wave Function in QED": the QED wave function used in the extended normal mode technique gives probability density distribution function of the initial values of trajectories. Moreover, (2) for the sake of demonstration of this new interpretation, the time-independent stationary state QM wave function is substituted to the QED wave function in section "Internal Self-Stress of Energetic Particles": the QED wave function is realized by internal self-stress revealed as energy density at the initial conditions. The renewed energy density is applied to study a unified scheme for generalized chemical reactivity. This is a new kind of chemical force acting in between electrons not in between nuclei. This paves a way for more advanced time-dependent simulation of electronic structure and dynamics in chemical reaction dynamics by tracing trajectories of many electrons. © 2018 Wiley Periodicals, Inc.
This paper elucidates the dual structure of the Schrödinger dynamics in two correlated stages: (1) We first derive the real-valued Schrödinger equation from scratch without referring to classical mechanics, wave mechanics, nor optics, and thereby attain a concrete and clear interpretation of the Schrödinger (wave) function. Beginning with a factorization of the density distribution function of the particles to two component vectors in configuration space, we impose very simple conditions on them such as translational invariance of space-time and the conservation of flux under a given potential function. A real-valued path-integral is formulated as a Green function for the real-valued Schrödinger equation. (2) We then study a quantum stochastic path dynamics in a manner compatible with the Schrödinger equation. The relation between them is like the Langevin dynamics with the diffusion equation. Each quantum path describes a \textquotedblleft trajectory\textquotedblright\ in configuration space representing, for instance, a singly launched electron in the double-slit experiment that leaves a spot one by one at the measurement board, while accumulated spots give rise to the fringe pattern as predicted by the absolute square of the Schrödinger function. We start from the relationship between the Ito stochastic differential equation, the Feynman-Kac formula, and the associated parabolic partial differential equations, to one of which\ the Schrödinger equation is transformed. The physical significance of the quantum intrinsic stochasticity and the indirect correlation among the quantum paths and so on are discussed. The self-referential nonlinear interrelationship between the Schrödinger functions (regarded as a whole) and the quantum paths (as its parts) is identified as the ultimate mystery in quantum dynamics.
Abstract The new quantum mechanics consists of a scheme of equations which are very closely analogous to the equations of classical mechanics, with the funda­mental difference that the dynamical variables do not obey the commutative law of multiplication, but satisfy instead the well-known quantum conditions. It follows that one cannot suppose the dynamical variables to be ordinary numbers (c-numbers), but may call them numbers of a special type (q-numbers). The theory shows that these q-numbers can in general be represented by matrices whose elements are c-numbers (functions of a time parameter). When one has performed the calculations with the q-numbers and obtained all the matrices one wants, the question arises how one is to get physical results from the theory, i. e., how can one obtain c-numbers from the theory that one can compare with experimental values ? Hitherto this has been done with the help of a number of special assumptions. In Heisenberg’s original matrix mechanics it was assumed that the elements of the diagonal matrix that repre­sents the energy are the energy levels of the system, and the elements of the matrix that represents the total polarisation, which are periodic functions of the time, determine the frequencies and intensities of the spectral lines in analogy to the classical theory. Schrodinger’s wave representation of the quantum mechanics has provided new ways of obtaining physical results from the theory, based on the assumption that the square of the amplitude of the wave function can in certain cases be interpreted as a probability. From this assumption one can, for instance, work out the probability of a transition being produced in a system (or the number of transitions produced in an assembly of like systems) by an arbitrary external perturbing force, and can thus, by supposing the perturbation to consist of incident radiation, obtain directly Einstein’s B coefficients. Again in Born’s treatment of collision problems it is assumed that the square of the amplitude of the wave function scattered in any direction determines the probability of the colliding electron (or other body) being scattered in that direction.
The causal quantum mechanics (i.e. Bohmian or de Broglie-Bohm or Bohm-de Broglie quantum mechanics) has made possible to calculate the trajectories of electrons in a typical double-slit experiment [C. Philippidis et al., Il Nuovo Cimento, 52 B, 15-28 (1979)]. The trajectories do not correspond to an uniform movement but to an accelerated one. The acceleration is caused by the quantum potential. From the quantum theoretical point of view, there is a probability for the electron to emit photons, with a certain emission power, during its movement from the slits to the screen. We find a quantum general formula for the emission power of photons, valid independently of the interpretation. Then, according to the Copenhagen interpretation, this formula gives a strictly zero value for the emission power because the electron moves as a free particle after it leaves the slit and before reach the screen. Then, there is no emission of photons. In the case of the causal interpretation, the emission power results, for a concrete real experiment, in a very tiny but not a zero value, driven by the square of the quantum potential gradient. We give an idea of the type of spectrum that could be measured. A brief idea of a possible experimental arrangement in order to detect this effect, is given.
Quantum Electrodynamics (QED) has been extremely successful inits predictive capability for atomic phenomena. Thus the greatest hope for any alternative view is solely to mimic the predictive capability of quantum mechanics (QM), and perhaps its usefulness will lie in gaining a better understanding of microscopic phenomena. Many “paradoxes” and problematic situations emerge in QED. To combat the QED problems, the field of Stochastics Electrodynamics (SE) emerged, wherein a random “zero point radiation” is assumed to fill all of space in an attmept to explain quantum phenomena, without some of the paradoxical concerns. SE, however, has greater failings. One is that the electromagnetic field energy must be infinit eto work. We have examined a deterministic side branch of SE, “self field” electrodynamics, which may overcome the probelms of SE. Self field electrodynamics (SFE) utilizes the chaotic nature of electromagnetic emissions, as charges lose energy near atomic dimensions, to try to understand and mimic quantum phenomena. These fields and charges can “interact with themselves” in a non-linear fashion, and may thereby explain many quantum phenomena from a semi-classical viewpoint. Referred to as self fields, they have gone by other names in the literature: “evanesccent radiation”, “virtual photons”, and “vacuum fluctuations”. Using self fields, we discuss the uncertainty principles, the Casimir effects, and the black-body radiation spectrum, diffraction and interference effects, Schrodinger's equation, Planck's constant, and the nature of the electron and how they might be understood in the present framework. No new theory could ever replace QED. The self field view (if correct) would, at best, only serve to provide some understanding of the processes by which strange quantum phenomena occur at the atomic level. We discuss possible areas where experiments might be employed to test SFE, and areas where future work may lie.
Abstract Young’s double slit experiment revived the wave theory of the light. The standard interpretation is that the light behaves as waves before and after passing through the diaphragm of the double slit. Feynman called the double slit experiment the only mystery in quantum mechanics. Recently, the photon chamber has been proposed and utilized to study the behavior of photons near the detecting screen. The experiments show that the light, near the screen, behaves as photons propagating along the straight-line trajectories, and the trajectories distribute as waves. In this article, we utilize two new methods to study experimentally the patterns near the diaphragm of the double slit/cross double slit. The experiments show that, the first time, within certain macroscopic distance from the diaphragm, (1) the pattern is non-interference and thus, the light behaves as photons and produces the “particle pattern” near the double slit; and (2) both the shape and nature of the patterns are distance-dependent; when the distance increases, the non-interference pattern gradually evolves to the interference pattern. The experiments: (1) provide novel phenomena/data for further theoretical development of the optics and for understanding the nature of the light; and (2) show the Feynman’s mystery with different aspect.
The present paper is based upon equations obtained in an earlier paper by the author devoted to a new formulation of quantum electrodynamics. The equations describe the structure of the electron as well as its motion in external fields, interaction with a measuring apparatus inclusive, in a deterministic manner without any jumps. Quantum mechanics is an approximate theory because its equations follow from the above equations upon neglecting the self-field of the electron itself. Just this leads to paradoxes, seeming contradictions and jumps in quantum mechanics. The quantum mechanical wavefunction has a dual interpretation. In some problems the square of its modulus represents a real distribution of the electronic density while in others the same square determines the probability distribution of coordinates. It is shown why, given the different interpretations of the wavefunction, it satisfies one and the same Dirac or Schrödinger equation. Description of many-electron systems is also considered in the starting approach as well as in quantum mechanics. Neutrinos are discussed in brief.