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Mathematics

Effective Potential from the Generalized Time-Dependent Schrödinger Equation

Trifce Sandev, Irina Petreska, Ervin Kaminski Lenzi

Published Sep 28, 2016• 18 citations
Publisher

Abstract

We analyze the generalized time-dependent Schrödinger equation for the force free case, as a generalization, for example, of the standard time-dependent Schrödinger equation, time fractional Schrödinger equation, distributed order time fractional Schrödinger equation, and tempered in time Schrödinger equation. We relate it to the corresponding standard Schrödinger equation with effective potential. The general form of the effective potential that leads to a standard time-dependent Schrodinger equation with the same solution as the generalized one is derived explicitly. Further, effective potentials for several special cases, such as Dirac delta, power-law, Mittag-Leffler and truncated power-law memory kernels, are expressed in terms of the Mittag-Leffler functions. Such complex potentials have been used in the transport simulations in quantum dots, and in simulation of resonant tunneling diode.

DOI
10.3390/math4040059

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We analyze the generalized time-dependent Schrödinger equation for the force free case, as a generalization, for example, of the standard time-dependent Schrödinger equation, time fractional Schrödinger equation, distributed order time fractional Schrödinger equation, and tempered in time Schrödinger equation. We relate it to the corresponding standard Schrödinger equation with effective potential. The general form of the effective potential that leads to a standard time-dependent Schrodinger equation with the same solution as the generalized one is derived explicitly. Further, effective potentials for several special cases, such as Dirac delta, power-law, Mittag-Leffler and truncated power-law memory kernels, are expressed in terms of the Mittag-Leffler functions. Such complex potentials have been used in the transport simulations in quantum dots, and in simulation of resonant tunneling diode.
After introducing the formalism of the general space and time fractional Schrödinger equation, we concentrate on the time fractional Schrödinger equation and present new results via the elegant language of Fox's H-functions. We show that the general time dependent part of the wave function for the separable solutions of the time-fractional Schrödinger equation is the Mittag-Leffler function with an imaginary argument by two different methods. After separating the Mittag-Leffler function into its real and imaginary parts, in contrast to existing works, we show that the total probability is ⩽1 and decays with time. Introducing the effective potential approach, we also write the Mittag-Leffler function with an imaginary argument as the product of its purely decaying and purely oscillating parts. In the light of these, we reconsider the simple box problem.
After introducing the formalism of the general space and time fractional Schrodinger equation, we concentrate on the time fractional Schrodinger equation and present new results via the elegant language of Fox's H-functions. We show that the general time dependent part of the wave function for the separable solutions of the time fractional Schrodinger equation is the Mittag-Leffler function with an imaginary argument by two different methods. After separating the Mittag-Leffler function into its real and imaginary parts, in contrast to existing works, we show that the total probability is less than one and decays with time. Introducing the effective potential approach, we also write the Mittag-Leffler function with an imaginary argument as the product of its purely decaying and purely oscillating parts. In the light of these, we reconsider the simple box problem. PACS numbers: this http URL, 02.50.Ey, this http URL, 03.65.Db
Solutions of the Schrödinger equation with an exact time dependence are derived as eigenfunctions of dynamical invariants which are constructed from time-independent operators using time-dependent unitary transformations. Exact solutions and a closed form expression for the corresponding time evolution operator are found for a wide range of time-dependent Hamiltonians in d dimensions, including non-Hermitean -symmetric Hamiltonians. Hamiltonians are constructed using time-dependent unitary spatial transformations comprising dilatations, translations and rotations and solutions are found in several forms: as eigenfunctions of a quadratic invariant, as coherent state eigenfunctions of boson operators, as plane wave solutions from which the general solution is obtained as an integral transform by means of the Fourier transform, and as distributional solutions for which the initial wavefunction is the Dirac δ-function. For the isotropic harmonic oscillator in d dimensions radial solutions are found which extend known results for d = 1, including Barut–Girardello and Perelomov coherent states (i.e., vector coherent states), which are shown to be related to eigenfunctions of the quadratic invariant by the ζ-transformation. This transformation, which leaves the Ermakov equation invariant, implements SU(1, 1) transformations on linear dynamical invariants. coherent states are derived also for the time-dependent linear potential. Exact solutions are found for Hamiltonians with electromagnetic interactions in which the time-dependent magnetic and electric fields are not necessarily spatially uniform. As an example, it is shown how to find exact solutions of the time-dependent Schrödinger equation for the Dirac magnetic monopole in the presence of time-dependent magnetic and electric fields of a specified form.
By making use of the Lewis-Riesenfeld invariant theory, the solution of the Schrödinger equation for the time-dependent linear potential corresponding to the quadratic-form Lewis-Riesenfeld invariant Iq(t)I_{\rm q}(t)Iq​(t) is obtained in the present paper. It is emphasized that in order to obtain the general solutions of the time-dependent Schrödinger equation, one should first find the complete set of Lewis-Riesenfeld invariants. For the present quantum system with a time-dependent linear potential, the linear Il(t)I_{\rm l}(t)Il​(t) and quadratic Iq(t)I_{\rm q}(t)Iq​(t) (where the latter Iq(t)I_{\rm q}(t)Iq​(t) cannot be written as the squared of the former Il(t)I_{\rm l}(t)Il​(t), {\it i.e.}, the relation Iq(t)=cIl2(t)I_{\rm q}(t)= cI_{\rm l}^{2}(t)Iq​(t)=cIl2​(t) does not hold true always) will form a complete set of Lewis-Riesenfeld invariants. It is also shown that the solution obtained by Bekkar {\it et al.} more recently is the one corresponding to the linear Il(t)I_{\rm l}(t)Il​(t), one of the invariants that form the complete set. In addition, we discuss some related topics regarding the comment [Phys. Rev. A {\bf 68}, 016101 (2003)] of Bekkar {\it et al.} on Guedes's work [Phys. Rev. A {\bf 63}, 034102 (2001)] and Guedes's corresponding reply [Phys. Rev. A {\bf 68}, 016102 (2003)].
By minimizing the difference between the left- and the right-hand sides of the many-body time-dependent Schr\"odinger equation with the Slater-determinant wave function, we derive a nonadiabatic and self-interaction-free time-dependent single-particle effective potential, which is the generalization to the time-dependent case of the so-called localized Hartree-Fock potential. The new potential can be efficiently used within the framework of the time-dependent density-functional theory as we demonstrate by the evaluation of the wave vector and frequency-dependent exchange kernel ${f}_{x}^{h}(q,\ensuremath{\omega})$ of the homogeneous electron gas. This is found to be nonsingular and causal, and it satisfies the positiveness of the dissipation, in contrast to the earlier known kernel from the first-order perturbation theory, which makes our fxh{f}_{x}^{h}fxh​ promising for applications.