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arXiv:2107.10311

A Quantum Mechanics Conservation of Energy Equation for Stationary States with Real Valued Wave Functions

James P. Finley

Published Jul 21, 2021• 1 citation
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Abstract

Many-body quantum-mechanical stationary states that have real valued wavefunctions are shown to satisfy a classical conservation of energy equation with a kinetic energy function. The terms in the equation depend on the probability distribution, and, in addition, pressure and velocity functions, but these functions also depend on the probability distribution. There are two possible directions of the velocity that satisfy the energy equation. A linear momentum function is defined that integrates to zero, and this property is consistent with the expectation value of the linear momentum for stationary states with real-valued wave functions. The energy equation is integrated to obtain a version of the well known energy equation involving reduced density matrices, where the kinetic energy functional of the one-particle density matrix is replaced by a function of the electron density and a velocity function. Also, the noninteracting kinetic energy functional from the Hohenberg--Kohn theorem is given as an explicit functional of the orbital densities. For the purpose of describing the behavior of particles in a stationary state, a model based on the energy equation is constructed. The model is evaluated for the two different velocity directions using the grounds state of the particle in a one-dimensional box and the hydrogen atom. For one velocity direction, equations of motions with contradictory properties are obtained, and, in the other, an unstable system is found. A discussion is given with suggestions of additional elements that might improve the model.

DOI
10.48550/arxiv.2107.10311

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•Jul 5, 2019•0 citations
Many-body quantum-mechanical stationary states that have real valued wavefunctions are shown to satisfy a classical conservation of energy equation with a kinetic energy function. The terms in the equation depend on the probability distribution, and, in addition, pressure and velocity functions, but these functions also depend on the probability distribution. There are two possible directions of the velocity that satisfy the energy equation. A linear momentum function is defined that integrates to zero, and this property is consistent with the expectation value of the linear momentum for stationary states with real-valued wave functions. The energy equation is integrated to obtain a version of the well known energy equation involving reduced density matrices, where the kinetic energy functional of the one-particle density matrix is replaced by a function of the electron density and a velocity function. Also, the noninteracting kinetic energy functional from the Hohenberg--Kohn theorem is given as an explicit functional of the orbital densities. For the purpose of describing the behavior of particles in a stationary state, a model based on the energy equation is constructed. The model is evaluated for the two different velocity directions using the grounds state of the particle in a one-dimensional box and the hydrogen atom. For one velocity direction, equations of motions with contradictory properties are obtained, and, in the other, an unstable system is found. A discussion is given with suggestions of additional elements that might improve the model.
It is demonstrated that the probability density function, given by the square of a quantum mechanical wavefunction that is a real-valued eigenvector of a time-independent, one-body Schroedinger equation, satisfies a compressible-flow generalization of the Bernoulli equation, where the mass density is the probability density times the mass of the system; the pressure and velocity fields are defined by functions depending on the probability density, and the gradient and the Laplacian of the probability density, where there are two possible directions of the velocity on a streamline. The velocity given definition implies a generalization of the steady-flow continuity equation where mass is not locally conserved. The gradient of the Bernoullian equation is demonstrated to be equivalent to the steady flow Euler equation for variable mass and irrotational flow. A speed of sound quadratic equation is obtained from a spherical wave-pulse. One of the solutions indicates that the wave-pulse velocity on a streamline is equal in magnitude but opposite in direction of the fluid velocity on the streamline. The other solution is the focus of attention from that point on. It is proven that the extremums of the momentum per volume on a streamline occur at points that are Mach 1 speed. The developed formalism is applied to a particle in a one-dimensional box, the ground and first excited-states of the one-dimensional harmonic oscillator, and the hydrogen 1s and 2s states. Some behavior is repeated in all the applications examined. For example, an antinode, a point of local-maximum density, has zero velocity and zero Mach speed on the streamline, while a node, a point of minimum density, has infinite velocity and Mach 2. In between the node and antinode is an extremum of the momentum, and Mach 1. (This is a short version of the abstract.)
Abstract A formalism is developed, and applied, that describes a class of one-body quantum mechanical systems as fluids where each stationary state is a steady flow state. The time-independent Schrödinger equation for one-body stationary states with real-valued wavefunctions is shown to be equivalent to a compressible-flow generalization of the Bernoulli equation of fluid dynamics. The mass density, velocity and pressure are taken as functions that are determined by the probability density. The generalized Bernoulli equation describes compressible, irrotational, steady flow with variable mass and a constant specific total energy, i.e, a constant energy per mass for each fluid element. The generalized Bernoulli equation and a generalized continuity equation provide a fluid dynamic interpretation of a class of quantum mechanical stationary states that is an alternative to the unrealistic, static-fluid interpretation provided by the Madelung equations and quantum hydrodynamics. The total kinetic energy from the Bernoulli equation is shown to be equal to the expectation value of the kinetic energy, and the integrand of the expectation value of the kinetic energy is given an interpretation. It is also demonstrated that variable mass is necessary for a satisfactory fluid model of stationary states. However, over all space, the flows conserve mass, because the rate of mass creation from the sources are equal to the rate of mass annihilation from the sinks. The following flows are examined: the ground and first excited-states of a particle in a one-dimensional box, the harmonic oscillator, and the hydrogen s states.
Abstract A formalism of classical mechanics is given for time-dependent many-body states of quantum mechanics, describing both fluid flow and point mass trajectories. The familiar equations of energy, motion, and those of Lagrangian mechanics are obtained. An energy and continuity equation is demonstrated to be equivalent to the real and imaginary parts of the time dependent Schrödinger equation, respectively, where the Schrödinger equation is in density matrix form. For certain stationary states, using Lagrangian mechanics and a Hamiltonian function for quantum mechanics, equations for point-mass trajectories are obtained. For 1-body states and fluid flows, the energy equation and equations of motion are the Bernoulli and Euler equations of fluid mechanics, respectively. Generalizations of the energy and Euler equations are derived to obtain equations that are in the same form as they are in classical mechanics. The fluid flow type is compressible, inviscid, irrotational, with the nonclassical element of local variable mass. Over all space mass is conserved. The variable mass is a necessary condition for the fluid flow to agree with the zero orbital angular momentum for s states of hydrogen. Cross flows are examined, where velocity directions are changed without changing the kinetic energy. For one-electron atoms, the velocity modification gives closed orbits for trajectories, and mass conservation, vortexes, and density stratification for fluid flows. For many body states, under certain conditions, and by hypotheses, Euler equations of orbital-flows are obtained. One-body Schrödinger equations that are a generalization of the Hartree–Fock equations are also obtained. These equations contain a quantum Coulomb’s law, involving the 2-body pair function of reduced density matrix theory that replace the charge densities.
Bohmian mechanics is a deterministic theory of quantum mechanics that is based on a set of n velocity functions for n particles, where these functions depend on the wavefunction from the n-body time-dependent Schroedinger equation. It is well know that Bohmian mechanics is not applicable to stationary states, since the velocity field for stationary states is the zero function. Recently, an alternative to Bohmian mechanics has been formulated, based on a conservation of energy equation, where the velocity fields are not the zero function, but this formalism is only applicable to stationary states with real valued wavefunctions. In this paper, Bohmian mechanics is merged with the alternative to Bohmian mechanics. This is accomplished by introducing an interpretation of the Bohm quantum potential. The final formalism gives dynamic particles for all states, including stationary states. The final main working equation contains two kinetic energy terms and a term that contains a factor that can be interpreted as a pressure. The derivation is a simple n-body generalization of the recent generalization, or refinement, of the Madelung equations.
A generalized Euler equation of fluid dynamics is derived for describing many-body states of quantum mechanics. The Eulerian Eq. can be viewed as representing the interaction of two substates, where each substate has its own velocity and pressure fields. These field quantities are given by maps of the wavefunction. For one-body systems, the Eulerian Eq. can model either a fluid or particle description of quantum states. The generalized Euler Eq. is shown to be the gradient of an equation representing the total-energy of the two substates, having two energy fields. This total-energy Eq. is a generalization of the Bernoulli Eq. of fluid dynamics. The total-energy Eq., along with a continuity-equation, is equivalent to the time-dependent Schroedinger Eq. An equation is also derived that is equivalent to the main equation of Bohmian mechanics with additional identifications: The quantum potential of Bohmian mechanics is given as a sum of a kinetic energy and pressure fields. Also, the time derivative of the wavefunction phase is replaced by an energy field. In the formalism, field quantities are identified from their placement in equations of classical mechanics and separately, by definitions that involve the wavefunction and operators of quantum mechanics. This approach yields, unintended, and unknown energy and pressure fields. These fields, however, are shown to satisfy a continuity Eq., an equation that is equivalent to the other equation of Bohmian mechanics. It is also demonstrated that energy conservation holds for both of these energy fields, if the wavefunction is a linear-combination of eigenvectors, where the eigenvectors can be nondegenerate. A detailed investigation is given on the possible behavior, or source, of an electron that has one of the velocity fields. Alternate formulae for this velocity fields are also considered.
In bound state quantum mechanics, one has statistical observables (based on P(x) where P is probability) such as spatial density d(x), potential energy density V(x)d(x) and kinetic energy density .5mv(x)v(x) d(x), where v(x) is the classical velocity obtained from .5mv(x)v(x) + V(x) = E. (Kinetic energy density can also be written as -1/2m W(x) d/dx d/dx W(x) where W(x) is the wavefunction). The energy of a state can be obtained by integrating these statistical observables i.e. Integral dx d(x) V(x) + Integral dx d(x) .5mv(x)v(x) = E. If one performs this integration for two different states, one may calculate the energy difference. This begs the question: why does quantum mechanics deal with conditional probabilities such as P(p/x) directly related to W(x)? The issue perhaps begins with the appearance of V(x) and E in the time independent Schrodinger equation. Kinetic energy (not kinetic energy density) should appear and be somehow linked to some motion. A question arises as to why the energy density is proportional to the spatial density i.e. Energy density = E d(x)? This is directly linked to the time-independent Schrodinger equation, but one may try to argue that classical energy conservation .5mv(x)v(x) + V(x) = E at each point x should hold in quantum mechanics with .5mv(x)v(x) equal to Sum over p p*p/2m P(p/x) where P(p/x) = fp exp(ipx)/W(x). If one, however, considers excited states written as Wn(x)= Wo(x)Hn(x) where Wo(x) is the ground state wavefunction, one finds that: -1/2m d/dx d/dx Hn(x) - 1/m [d/dx Wo(x)]/Wo(x) [d/dx Hn(x)] = E1 Hn(x) ((1)) In other words, an eigenvalue equation appears again with no V(x) present. If one assumes Hn(x) has physical meaning (i.e. is related to a phonon or photon), then ((1)) may suggest there is a physical principle in place, i.e. the idea that one must have a “constant” energy at each point x. Here E1 is strictly kinetic energy (although not all of it). This “principle” has consequences as it restricts the values of E1 (i.e. discrete eigenvalues) and leads often to a periodic Hn(x) which has direct effect on kinetic energy density and potential energy density. Thus, having Hn(x) interact with Wo(x) to produce a constant energy E1 times Hn(x) does affect kinetic and energy densities at each x point, just not kinetic energy itself (it is constant i.e. E1). The purpose of this note is to examine this possible principle behind quantum mechanics.