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Physical Review A

Integro-differential Schrödinger equation as an extension of the differential Schrödinger equation

B. Baseia

Published Aug 1, 1988• 8 citations
Publisher

Abstract

We define the extended Schr\"odinger equation as the integro-differential equation having a nonlocal potential which is an extension of a given local potential and investigate the behavior of the length of nonlocality as a critical parameter that separates a ``phase'' of localized energy eigenfunctions from another unlocalized one.

DOI
10.1103/physreva.38.1632

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We define the extended Schr"odinger equation as the integro-differential equation having a nonlocal potential which is an extension of a given local potential and investigate the behavior of the length of nonlocality as a critical parameter that separates a ``phase'' of localized energy eigenfunctions from another unlocalized one.
The description of a particle in the quantum system is probabilistic. In the ordinary quantum mechanics the total probability of finding the particle is conserved, i.e. the probability is normalized for all the times. To find a non-constant total probability an imaginary term should be added to the potential energy which is not physical. Recently, generalizations of the ordinary Schrödinger equation have been proposed by using the Feynman path integral and analogy between the Schrödinger equation and diffusion equation. In this work, an integro-differential Schrödinger equation is proposed by using analogy between the Schrödinger equation and diffusion equation. The equation is obtained from the continuous time random walk model with diverging jump length variance and generic waiting time probability density. The equation generalizes the ordinary and fractional Schrödinger equations. One can show that the integro-differential Schrödinger equation can describe a non-constant total probability for a free particle, and it includes the exponential decay which is fundamental for the description of radioactive decay.
The canonical treatment of the quantum dynamics of systems with dissipation affected degrees of freedom proceeds within the sum over histories picture of quantum theory. This paper proposes to supplement that approach with a Schrodinger equation approach to the same physics. Starting from a Lagrangian that is of the same form as those obtained by path integration, one can arrive at a quantized Hamiltonian analogue using the standard rules applied to non-dissipative systems. The resulting Hamiltonian is non-diagonal in position representation, so that the corresponding Schrodinger equation is a nonlinear integro-differential equation reminiscent of the Hartree equation. In the case of the normal tunnel junction, with a quasiparticle heat bath, this equation has an exact solution.
Schrödinger dynamics is a nonlocal process. Not only does local perturbation affect instantaneously the entire space, but the effect decays slowly. When the wavefunction is spectrally bounded, the Schrödinger equation can be written as a universal set of ordinary differential equations, with universal coupling between them, which is related to Euler’s formula. Since every variable represents a different local value of the wave equation, the coupling represents the dynamics’ nonlocality. It is shown that the nonlocal coefficient is inversely proportional to the distance between the centers of these local areas. As far as we know, this is the first time that this inverse square law was formulated.
Much of the literature on point interactions in quantum mechanics has focused on the differential form of Schrödinger’s equation. This paper, in contrast, investigates the integral form of Schrödinger’s equation. While both forms are known to be equivalent for smooth potentials, this is not true for distributional potentials. Here, we assume that the potential is given by a distribution defined on the space of discontinuous test functions. First, by using Schrödinger’s integral equation, we confirm a seminal result by Kurasov, which was originally obtained in the context of Schrödinger’s differential equation. This hints at a possible deeper connection between both forms of the equation. We also sketch a generalisation of Kurasov’s [J. Math. Anal. Appl. 201(1), 297–323 (1996)] result to hypersurfaces. Second, we derive a new closed-form solution to Schrödinger’s integral equation with a delta prime potential. This potential has attracted considerable attention, including some controversy. Interestingly, the derived propagator satisfies boundary conditions that were previously derived using Schrödinger’s differential equation. Third, we derive boundary conditions for “super-singular” potentials given by higher-order derivatives of the delta potential. These boundary conditions cannot be incorporated into the normal framework of self-adjoint extensions. We show that the boundary conditions depend on the energy of the solution and that probability is conserved. This paper thereby confirms several seminal results and derives some new ones. In sum, it shows that Schrödinger’s integral equation is a viable tool for studying singular interactions in quantum mechanics.
The Hohenberg-Kohn theorem is extended to the case that the external potential is nonlocal. It is shown that, in this more general case, a nondegenerate ground-state wave function is a universal functional of the one-particle density kernel $\ensuremath{\mu}(x,{x}^{\ensuremath{'}})$, but probably not of the particle density $n(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}})=\ensuremath{\Sigma}{s}^{}\ensuremath{\mu}(\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}s,\stackrel{\ensuremath{\rightarrow}}{\mathrm{r}}s)$. The variational equations for the local and nonlocal cases are compared. The former must be replaced by a variational equation for an equivalent system of noninteracting particles, following a prescription of Kohn and Sham, in order to obtain a Schr\"odinger-like form, and contains only local potentials. The latter may be obtained directly in Schr\"odinger-like form, but the exchange-correlation potential is nonlocal. If the nonlocal pseudo-Hamiltonian exists [i.e., if the functional derivative $\frac{\ensuremath{\delta}E}{\ensuremath{\delta}\ensuremath{\mu}(x,{x}^{\ensuremath{'}})}$ exists for a nondegenerate ground-state density kernel], then the eigenfunctions of the pseudo-Hamiltonian are natural spin orbitals, and all partially occupied orbitals ($0<〈{\ensuremath{\varphi}}_{i}|\ensuremath{\mu}|{\ensuremath{\varphi}}_{i}〉<1$) belong to the same degenerate eigenvalue of the pseudo-Hamiltonian. Finally, it is shown, as a corollary of Coleman's theorem for NNN-representable density kernels, that any finite non-negative differentiable function is an NNN-representable particle density.