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International Journal of Applied Electromagnetics and Mechanics

Numerical analysis of quantum-mechanical non-uniform E×B drift: Non-uniform electric field

Wataru Kosaka, Shun-ichi Oikawa, Poh Kam Chan

Published Aug 1, 2016• 1 citation
Publisher

Abstract

We have numerically solved the two-dimensional time-dependent Schrödinger equation for a charged particle in the presence of a non-uniform electric field E = E ≤(1- y / L_E ) e_y as well as a non-uniform magnetic field B = B ≤(1- y / L_B ) e_z. It is shown that such a non-uniformity of the electric field does not affect the time rate of the variance, or uncertainty, changes in position and momentum, while that of the magnetic field does.

DOI
10.3233/jae-162208

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We have numerically solved the two-dimensional time-dependent Schrödinger equation for a charged particle in the presence of a non-uniform electric field E = E ≤(1- y / L_E ) e_y as well as a non-uniform magnetic field B = B ≤(1- y / L_B ) e_z. It is shown that such a non-uniformity of the electric field does not affect the time rate of the variance, or uncertainty, changes in position and momentum, while that of the magnetic field does.
We have solved the two-dimensional time-dependent Schrödinger equation for a single particle in the presence of a non-uniform magnetic field for initial speed of 8 - 100m/s, mass of the particle at 1 - 10mp, where mp is the mass of a proton. Magnetic field at the origin of 5 - 10 T, charge of 1 - 4 e, where e is the charge of the particle and gradient scale length of 2.610 × 10−5 - 5.219 m. Previously, we found out that the variance, or the uncertainty, in position can be expressed as dσ2r/dt = 4.3 v0/qB0LB, where m is the mass of the particle, q is the charge, v0 is the initial speed of the corresponding classical particle, B0 is the magnetic field at the origin and LB is the gradient scale length of the magnetic field. In this research, it was numerically found that the variance, or the uncertainty, in total momentum can be expressed as dσ2P/dt = 0.57 qB0v0/LB. In this expression, we found out that mass, m does not affect both our newly developed expression for uncertainty in position and total momentum.
This 1-D Schrodinger equation describes the non relativistic motion of a single charged particle (mass m = 1, = 1) with a potential V in a uniform electric field t → u(t). With v = −u, (1) represents also the dynamics of a particle in a non Galilean frame of absolute position v (see, e.g., [9]). A change of independent variables (t, q) → (t, z) and dependent variable ψ → φ, transform (1) into (2) where the control appears as a shift on the space variable. These classical transformations are as follows (see, e.g., [2]). Instead of considering u as control, take v defined by v = −u as control. Then
Operator-difference multilayer schemes for solving the time-dependent Schrödinger equation up to sixth order of accuracy in the time step are presented. Reduced schemes for solving a set of coupled time-dependent Schrödinger equations with respect to the hyper-radial variable are devised using expansion of a wave packet over the set of appropriate basis angular functions. Further discretization of the resulting problem is realized by means of the finite-element method. The convergence of the expansion with respect to the number of basis functions and the efficiency of the numerical schemes are demonstrated in the exactly solvable model of an electric-field-driven two-dimensional oscillator (or a charged particle in a constant uniform magnetic field), in which we explicitly observed an effect of the periodical focusing and defocusing of the probability density flux.
When a system of particles in a bound state is placed in an external field the quantum state of the system depends on the manner in which the field is produced. The two limiting cases of interest are the adiabatic and impulse limits. Since the system does not approach a stationary state in either limit, in general, it is necessary to consider solutions of the time dependent Schrödinger equation. An example of this approach is provided by the problem of a harmonic oscillator in a uniform, time varying electric field for which an exact solution is easy to obtain using the Magnus expansion for the evolution operator. This operator contains the position and momentum in a particularly simple way that allows it to be interpreted in terms of position and momentum shifts produced by the field. The wavefunction of the oscillator is obtained in the adiabatic and impulse limits assuming the field to be switched on in an exponential fashion. Results obtained for these two limiting cases are then shown to be independent of the manner in which the field reaches its final steady value.
A thorough unified treatment is given of the quantum-mechanical operators and wave functions for a molecular system (composed of NNN moving charged particles) in static uniform electric and magnetic fields E\mathit{E}E and B\mathit{B}B. The treatment is rigorous within the nonrelativistic approximation. The system may either be neutral or charged. The fields may have arbitrary intensities and orientations. Close correspondence is maintained between the classical and quantum-mechanical treatments. The wave functions are expressed both in the time-independent energy representation and in time-dependent wave packets. Three types of momentum play important roles. For single-particle systems they are the canonical momentum P\mathit{P}P, the mechanical momentum $\mathit{\ensuremath{\Pi}}=\mathit{P}\ensuremath{-}(\frac{e}{c})\mathit{A}=M\stackrel{\ifmmode \dot{}\else \.{}\fi{}}{R}$, and the pseudomomentum $\mathcal{K}=\mathit{\ensuremath{\Pi}}\ensuremath{-}(\frac{e}{c})\mathit{R}\ifmmode\times\else\texttimes\fi{}\mathit{B}\ensuremath{-}e\mathit{E}t$. The pseudomomentum is a constant of the motion. Except in the absence of magnetic fields, not all of the components of either $\mathit{\ensuremath{\Pi}}$ or K\mathcal{K}K commute. This complicates the quantum-mechanical formalism. The components of the pseudomomentum have simple classical interpretations, and in quantum mechanics they are related to the operator which performs a boost to a reference frame moving with constant velocity v\mathit{v}v. In this moving frame, the electric field intensity is ${\mathit{E}}^{\ensuremath{'}}=\mathit{E}+(\frac{\mathit{v}}{c})\ifmmode\times\else\texttimes\fi{}\mathit{B}$. Thus, in a frame moving with the drift velocity ${\mathit{v}}_{d}=(\frac{c}{{B}^{2}})\mathit{E}\ifmmode\times\else\texttimes\fi{}\mathit{B}$, the components of the electric field intensity perpendicular to B\mathit{B}B vanish. In this paper, the velocity boost operators are used to show the relationships between wave functions expressed in reference frames moving with repsect to each other. The dynamics of the NNN-particle systems are simplified by making the Power-Zienau-Woolley transformation (which reduces as a special case to a unitary transformation used by Lamb) and by using center-of-mass and internal coordinates. Generalizing previous works, it is shown how the pseudomomentum is involved in separating these degrees of freedom for NNN particles in both E\mathit{E}E and B\mathit{B}B. For neutral molecules, the Schr\"odinger equation is "pseudoseparated" and the internal degrees of freedom are coupled to the center of mass motion only by the "motional Stark Effect," which involves the constant of motion K\mathcal{K}K. For ionic systems, only one component of the center of mass is coupled to the internal motion. Quantitative estimates of the weak center-of-mass coupling are made for both neutral and ionic n=1n=1n=1 and n=2n=2n=2 quantum states of two-body systems by perturbation expansions in powers of the field strengths. In the usual nonrigorous treatments of systems in magnetic fields, no distinction is made between $\mathit{\ensuremath{\Pi}}$ and K\mathcal{K}K and both are approximated by $M\stackrel{\ifmmode \dot{}\else \.{}\fi{}}{R}$, where MMM is the mass of the molecule and R\mathit{R}R is taken to be the classical orbital position of a single particle having the same mass and charge. This is an excellent approximation for ground-state molecules and ions in weak fields. However, the resulting errors can be much larger if the system is in either intense fields or high-lying states (e.g., Rydberg levels). These are the conditions under which the rigorous formalism should be most useful. The determination of the wave functions and energy levels for many-particle ionic systems is complicated due to the coupling with the center of mass. The suggestion is made that it might be useful to boost the reference frame so that it moves with the velocity $\stackrel{\ifmmode \dot{}\else \.{}\fi{}}{R}$ of a single classical particle. The Schr\"odinger equation in this frame could serve as a more suitable basis for perturbative or variational treatments.