Quantum Mechanical Wave Function Research Articles

An Information Ontology for the Process Algebra Model of Non-Relativistic Quantum Mechanics.

The process algebra model has been suggested as an alternative mathematical framework for non-relativistic quantum mechanics (NRQM). It appears to reproduce the wave functions of non-relativistic quantum mechanics to a high degree of accuracy. It posits a fundamental level of finite, discrete events upon which the usual entities of NRQM supervene. It has been suggested that the process algebra model provides a true completion of NRQM, free of divergences and paradoxes, with causally local information propagation, contextuality, and realism. Arguments in support of these claims have been mathematical. Missing has been an ontology of this fundamental level from which the formalism naturally emerges. In this paper, it is argued that information and information flow provides this ontology. Higher level constructs such as energy, momentum, mass, spacetime, are all emergent from this fundamental level.

Динамика измерений координат квантовых нерелятивистских частиц

Background and Objectives: There are a few different ways to change the quantum mechanical wave function. One is the continuous evolution according to the Schrodinger equation; the others are the collapse provided by strong measurements and the weak continuous measurement. The question arises: Can the strong measurement be considered as a dynamical process. Methods: To answer the question, a dynamic model is proposed to simulate numerically the measurement of the coordinates of quantum particles. By measuring the coordinate, we mean the capture of a particle in a narrow box and the excitation of the stationary wave function in it. We consider the amplitude of the probability of transition to a stationary state as a wave function, and the non-stationary Schrodinger equation is solved using this initial function. The transition to a stationary state was modeled as a gated process. Results and Conclusion: It is shown that when measuring coordinates, along with the instant collapse, there are cases when the measurement takes a short but finite time. In particular, the projective measurement of the coordinate of one of the entangled particles takes some time and is accompanied by the correlation in the probability density of the particles coordinates. Moreover, the correlation is lost over time.

A model for the solution of the quantum measurement problem

The basic idea of quantum mechanics is that the property of any system can be in a state of superposition of various possibilities (or eigen states). This state of superposition is also known as wave function and it evolves linearly with time in a deterministic way in accordance with the Schrodinger equation. However, when a measurement is carried out on the system to determine the value of that property (say position), the system instantaneously transforms to one of the eigen states and thus we get only a single value as outcome of the measurement. Quantum measurement problem seeks to find the cause and exact mechanism governing this transformation. In an attempt to solve the above problem, in this paper, we will first define what the wave function represents in real world and will identify the root cause behind the stochastic nature of events. Then, we will develop a model to explain the mechanism of collapse of the quantum mechanical wave function in response to a measurement. In the process of development of model, we will explain Schrodinger cat paradox and will show how Born’s rule for probability becomes a natural consequence of measurement process.

Representation of the quantum mechanical wavefunction by orthogonal polynomials in the energy and physical parameters

We present a formulation of quantum mechanics based on the theory of orthogonal polynomials. The wavefunction is expanded over a complete set of square integrable basis where the expansion coefficients are orthogonal polynomials in the energy and physical parameters. Information about the corresponding physical systems (both structural and dynamical) are derived from the properties of these polynomials. We demonstrate that an advantage of this formulation is that the class of exactly solvable quantum mechanical problems becomes larger than in the conventional formulation (see, for example, table 3 in the text). We limit our investigation in this work to the Askey classification scheme of hypergeometric orthogonal polynomials and focus on the Wilson polynomial and two of its limiting cases (the Meixner–Pollaczek and continuous dual Hahn polynomials). Nonetheless, the formulation is amenable to other classes of orthogonal polynomials.

Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical properties, they do not explicitly capture the electronic degrees of freedom of a molecule, which limits their applicability for reactive chemistry and chemical analysis. Here we present a deep learning framework for the prediction of the quantum mechanical wavefunction in a local basis of atomic orbitals from which all other ground-state properties can be derived. This approach retains full access to the electronic structure via the wavefunction at force-field-like efficiency and captures quantum mechanics in an analytically differentiable representation. On several examples, we demonstrate that this opens promising avenues to perform inverse design of molecular structures for targeting electronic property optimisation and a clear path towards increased synergy of machine learning and quantum chemistry.

Measuring the Berry phase of graphene from wavefront dislocations in Friedel oscillations.

Electronic band structures dictate the mechanical, optical and electrical properties of crystalline solids. Their experimental determination is therefore crucial for technological applications. Although the spectral distribution in energy bands is routinely measured by various techniques1, it is more difficult to access the topological properties of band structures such as the quantized Berry phase, γ, which is a gauge-invariant geometrical phase accumulated by the wavefunction along an adiabatic cycle2. In graphene, the quantized Berry phase γ=π accumulated by massless relativistic electrons along cyclotron orbits is evidenced by the anomalous quantum Hall effect4,5.It is usually thought that measuring the Berry phase requires the application of external electromagnetic fields to force the charged particles along closed trajectories3. Contradicting this belief, here we demonstrate that the Berry phase of graphene can be measured in the absence of any external magnetic field. We observe edge dislocations in oscillations of the charge density ρ (Friedel oscillations) that are formed at hydrogen atoms chemisorbed on graphene. Following Nye and Berry6 in describing these topological defects as phase singularities of complex fields, we show that the number of additional wavefronts in the dislocation is a real-space measure of the Berry phase of graphene. Because the electronic dispersion relation can also be determined from Friedel oscillations7, our study establishes the charge density as a powerful observable with which to determine both the dispersion relation and topological properties of wavefunctions. This could have profound consequences for the study of the band-structure topology of relativistic and gapped phases in solids.

A new class of Volterra-type integral equations from relativistic quantum physics

Here we study a new kind of linear integral equations for a relativistic quantum-mechanical two-particle wave function $\psi(x_1,x_2)$, where $x_1,x_2$ are spacetime points. In the case of retarded interaction, these integral equations are of Volterra-type in the in the time variables, i.e., they involve a time integration from 0 to $t_i = x_i^0,~i=1,2$. They are interesting not only in view of their applications in physics, but also because of the following mathematical features: (a) time and space variables are more interrelated than in normal time-dependent problems, (b) the integral kernels are singular, and the structure of these singularities is non-trivial, (c) they feature time delay. We formulate a number of examples of such equations for scalar wave functions and prove existence and uniqueness of solutions for them. We also point out open mathematical problems.

Graduate student misunderstandings of wave functions in an asymmetric well

Many misunderstandings about wave functions in quantum mechanics persist throughout students' graduate study in physics.

Quantum mechanism of condensation and high Tc superconductivity

The main objective of this paper is to introduce a new quantum mechanism of condensates and superconductivity based on a new interpretation of quantum mechanical wavefunctions, and on recent developments in quantum physics and statistical physics. First, we postulate that the wavefunction [Formula: see text]e[Formula: see text] is the common wavefunction for all particles in the same class determined by the external potential V(x), [Formula: see text](x)[Formula: see text] represents the distribution density of the particles, and [Formula: see text] is the velocity field of the particles. Although the new interpretation does not alter the basic theories of quantum mechanics, it is an entirely different interpretation from the classical Bohr interpretation, removes all absurdities and offers new insights for quantum physics and for condensed matter physics. Second, we show that the key for condensation of bosonic particles is that their interaction is sufficiently weak to ensure that a large collection of boson particles are in a state governed by the same condensation wavefunction field [Formula: see text] under the same bounding potential V. For superconductivity, the formation of superconductivity comes down to conditions for the formation of electron pairs, and for the electron pairs to share a common wavefunction. Thanks to the recently developed principle of interaction dynamics (PID) interaction potential of electrons and the average-energy level formula of temperature, these conditions for superconductivity are explicitly derived. Furthermore, we obtain both microscopic and macroscopic formulas for the critical temperature. The field and topological phase transition equations for condensates are also derived.

Quaternionic wave function

We argue that quaternions form a natural language for the description of quantum-mechanical wave functions with spin. We use the quaternionic spinor formalism which is in one-to-one correspondence with the usual spinor language. No unphysical degrees of freedom are admitted, in contrast to the majority of literature on quaternions. In this paper, we first build a Dirac Lagrangian in the quaternionic form, derive the Dirac equation and take the nonrelativistic limit to find the Schrödinger’s equation. We show that the quaternionic formalism is a natural choice to start with, while in the transition to the noninteracting nonrelativistic limit, the quaternionic description effectively reduces to the regular complex wave function language. We provide an easy-to-use grammar for switching between the ordinary spinor language and the description in terms of quaternions. As an illustration of the broader range of the formalism, we also derive the Maxwell’s equation from the quaternionic Lagrangian of Quantum Electrodynamics. In order to derive the equations of motion, we develop the variational calculus appropriate for this formalism.

量子力学中的波函数与新概念物质波

量子力学中的波函数与新概念物质波

Design of a test for the electromagnetic coupling of non-local wavefunctions

It has recently been proven that certain effective wavefunctions in fractional quantum mechanics and condensed matter do not have a locally conserved current; as a consequence, their coupling to the electromagnetic field leads to extended Maxwell equations, featuring non-local, formally simple additional source terms. Solving these equations in general form or finding analytical approximations is a formidable task, but numerical solutions can be obtained by performing some bulky double-retarded integrals. We focus on concrete experimental situations which may allow to detect an anomalous quasi-static magnetic field generated by these (collective) wavefunctions in cuprate superconductors. We compute the spatial dependence of the field and its amplitude as a function of microscopic parameters including the fraction $\eta$ of supercurrent that is not locally conserved in Josephson junctions between grains, the thickness $a$ of the junctions and the size $\varepsilon$ of their current sinks and sources. The results show that the anomalous field is actually detectable at the macroscopic level with sensitive experiments, and can be important at the microscopic level because of virtual charge effects typical of the extended Maxwell equations.

High-Order Energy and Linear Momentum Conserving Methods for the Klein-Gordon Equation

The Klein-Gordon equation is a model for free particle wave function in relativistic quantum mechanics. Many numerical methods have been proposed to solve the Klein-Gordon equation. However, efficient high-order numerical methods that preserve energy and linear momentum of the equation have not been considered. In this paper, we propose high-order numerical methods to solve the Klein-Gordon equation, present the energy and linear momentum conservation properties of our numerical schemes, and show the optimal error estimates and superconvergence property. We also verify the performance of our numerical schemes by some numerical examples.

Experimental and theoretical investigation of the crossover from the ultracold to the quasiclassical regime of photodissociation

At ultralow energies, atoms and molecules undergo collisions and reactions that are best described in terms of quantum mechanical wave functions. In contrast, at higher energies these processes can be understood quasiclassically. Here, we investigate the crossover from the quantum mechanical to the quasiclassical regime both experimentally and theoretically for photodissociation of ultracold diatomic strontium molecules. This basic reaction is carried out with a full control of quantum states for the molecules and their photofragments. The photofragment angular distributions are imaged, and calculated using a quantum mechanical model as well as the WKB and a semiclassical approximation that are explicitly compared across a range of photofragment energies. The reaction process is shown to converge to its high-energy (axial recoil) limit when the energy exceeds the height of any reaction barriers. This phenomenon is quantitatively investigated for two-channel photodissociation using intuitive parameters for the channel amplitude and phase. While the axial recoil limit is generally found to be well described by a commonly used quasiclassical model, we find that when the photofragments are identical particles, their bosonic or fermionic quantum statistics can cause this model to fail, requiring a quantum mechanical treatment even at high energies.

Quantum imploding scalar fields.

The d’Alembertian □ϕ = 0 has the solution ϕ = f(v)/r, where f is a function of a null coordinate v, and this allows creation of a divergent singularity out of nothing. In scalar-Einstein theory a similar situation arises both for the scalar field and also for curvature invariants such as the Ricci scalar. Here what happens in canonical quantum gravity is investigated. Two minispace Hamiltonian systems are set up: extrapolation and approximation of these indicates that the quantum mechanical wave function can be finite at the origin.

Quantum Particles as 3D Differentiable Manifolds

As shown in our work on spacetime structures of quantum particles, Schrödinger wavefunctions in quantum mechanics can be utilised to construct the geometric structures of quantum particles which are considered to be three-dimensional differentiable manifolds. In this work we will extend this kind of geometric formulation of quantum particles by showing that wavefunctions that are normally used to describe wave phenomena in classical physics can in fact also be utilised to represent three-dimensional differentiable manifolds which in turns are identified with quantum particles. We show that such identification can be achieved by using a three-dimensional wave equation to construct three-dimensional differentiable manifolds that are embedded in a four-dimensional Euclidean space. In particular, the dual character that is resulted from the identification of a wavefunction with a three-dimensional differentiable manifold may provide a classical basis to interpret the wave-particle duality in quantum mechanics.

Gravitational effects in g -factor measurements and high-precision spectroscopy: Limits of Einstein's equivalence principle

We study the interplay of general relativity, the equivalence principle, and high-precision experiments involving atomic transitions and $g$-factor measurements. In particular, we derive a generalized Dirac Hamiltonian, which describes both the gravitational coupling for weak fields and the electromagnetic coupling, e.g., to a central Coulomb field. An approximate form of this Hamiltonian is used to derive the leading gravitational corrections to transition frequencies and $g$ factors. The position dependence of atomic transitions is shown to be compatible with the equivalence principle, up to a very good approximation. The compatibility of $g$-factor measurements requires a deeper subtle analysis in order to eventually restore the compliance of $g$-factor measurements with the equivalence principle. Finally, we analyze small but important limitations of Einstein's equivalence principle due to quantum effects, within high-precision experiments. We also study the relation of these effects to a conceivable gravitationally induced collapse of a quantum-mechanical wave function (the Penrose conjecture), and space-time noncommutativity, and find that the competing effects should not preclude the measurability of the higher-order gravitational corrections. In the course of the discussion, a renormalized form of the Penrose conjecture is proposed and confronted with experiment. Surprisingly large higher-order gravitational effects are obtained for transitions in diatomic molecules.

Asymptotic behavior of Nambu–Bethe–Salpeter wave functions for scalar systems with a bound state

We study the asymptotic behaviors of the Nambu-Bethe-Salpeter (NBS) wave functions, which are important for the HAL QCD potential method to extract hadron interactions, in the case that a bound state exists in the system. We consider the complex scalar particles, two of which lead to the formation of a bound state. In the case of the two-body system, we show that the NBS wave functions for the bound state as well as scattering states in the asymptotic region behave like the wave functions in quantum mechanics, which carry the information of the binding energy as well as the scattering phase shift. This analysis theoretically establishes under some conditions that the HAL QCD potential can correctly reproduce not only the scattering phase shift but also the binding energy. As an extension of the analysis, we also study the asymptotic behaviors of all possible NBS wave functions in the case of the three-body systems, two of which can form a bound states.

Quantum Dynamics and Non-Local Effects Behind Ion Transition States during Permeation in Membrane Channel Proteins.

We present a comparison of a classical and a quantum mechanical calculation of the motion of K+ ions in the highly conserved KcsA selectivity filter motive of voltage gated ion channels. We first show that the de Broglie wavelength of thermal ions is not much smaller than the periodic structure of Coulomb potentials in the nano-pore model of the selectivity filter. This implies that an ion may no longer be viewed to be at one exact position at a given time but can better be described by a quantum mechanical wave function. Based on first principle methods, we demonstrate solutions of a non-linear Schrödinger model that provide insight into the role of short-lived (~1 ps) coherent ion transition states and attribute an important role to subsequent decoherence and the associated quantum to classical transition for permeating ions. It is found that short coherences are not just beneficial but also necessary to explain the fast-directed permeation of ions through the potential barriers of the filter. Certain aspects of quantum dynamics and non-local effects appear to be indispensable to resolve the discrepancy between potential barrier height, as reported from classical thermodynamics, and experimentally observed transition rates of ions through channel proteins.

Origin of Quantum Mechanical Results and Life: A Clue from Quantum Biology

Although quantum mechanics can accurately predict the probability distribution of outcomes in an ensemble of identical systems, it cannot predict the result of an individual system. All the local and global hidden variable theories attempting to explain individual behavior have been proved invalid by experiments (violation of Bell’s inequality) and theory. As an alternative, Schrodinger and others have hypothesized existence of free will in every particle which causes randomness in individual results. However, these free will theories have failed to quantitatively explain the quantum mechanical results. In this paper, we take the clue from quantum biology to get the explanation of quantum mechanical distribution. Recently it was reported that mutations (which are quantum processes) in DNA of E. coli bacteria instead of being random were biased in a direction such that the chance of survival of the bacteria is increased. Extrapolating it, we assume that all the particles including inanimate fundamental particles have a will and that is biased to satisfy the collective goals of the ensemble. Using this postulate, we mathematically derive the correct spin probability distribution without using quantum mechanical formalism (operators and Born’s rule) and exactly reproduce the quantum mechanical spin correlation in entangled pairs. Using our concept, we also mathematically derive the form of quantum mechanical wave function of free particle which is conventionally a postulate of quantum mechanics. Thus, we prove that the origin of quantum mechanical results lies in the will (or consciousness) of the objects biased by the collective goal of ensemble or universe. This biasing by the group on individuals can be called as “coherence” which directly represents the extent of life present in the ensemble. So, we can say that life originates out of establishment of coherence in a group of inanimate particles.