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arXiv:cond-mat/9803271 · International Journal of Modern Physics A

PERTURBATION THEORY FOR SINGULAR POTENTIALS IN QUANTUM MECHANICS

Diptiman Sen

Published Apr 30, 1999• 29 citations
arXivHTMLPDF

Abstract

We study perturbation theory in certain quantum mechanics problems in one dimension in which the perturbing potential diverges at some points, even though the energy eigenvalues are smooth functions of the coefficient of the potential. We discuss some of the unusual techniques which are required to obtain perturbative expansions of the energies in such cases. These include a point-splitting prescription with a δ′′ function for expanding around the Dirichlet (fermionic) limit of the δ function potential, and performing a similarity transformation to a non-Hermitian potential in the Calogero–Sutherland model. As an application of the first technique, we study the ground state of the δ function Bose gas near the fermionic limit.

DOI
10.1142/s0217751x99000919

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We study perturbation theory in certain quantum mechanics problems in one dimension in which the perturbing potential diverges at some points, even though the energy eigenvalues are smooth functions of the coefficient of the potential. We discuss some of the unusual techniques which are required to obtain perturbative expansions of the energies in such cases. These include a point-splitting prescription with a δ′′ function for expanding around the Dirichlet (fermionic) limit of the δ function potential, and performing a similarity transformation to a non-Hermitian potential in the Calogero–Sutherland model. As an application of the first technique, we study the ground state of the δ function Bose gas near the fermionic limit.
This paper presents several cases in which the effects of the addition of a delta function potential on bound states can be computed exactly. In the case of the one dimensional Schrödinger equation, a Green’s function technique is used to compute an exact implicit expression that gives the effect of the one−dimensional delta function potential on the bound states eigenvalues. It is also shown that the weak coupling limit of the implicit expression agrees with the perturbative treatment of the delta function. It is pointed out that this technique cannot be applied to obtain an exact treatment of the delta function potential δ3(r) in the three−dimensional Schrödinger equation. Instead, an alternate definition of the delta function in three dimensions as a limit of a sequence of square well potentials is used. Unlike the one dimensional case, the exact effect on the eigenvalue does not agree in the limit of weak coupling with the perturbative results. This indicates that the three−dimensional delta function potential should not be used to approximate strongly coupled short range potentials for which perturbation theory is inadequate.
This paper discusses some one dimensional quantum models with singular perturbations. Eventually, a mass discontinuity is added at the points that support the singular perturbations. The simplest model includes an attractive singular potential with a mass jump both located at the origin. We study the form of the only bound state. Another model exhibits a hard core at the origin plus one or more repulsive deltas with mass jumps at the points supporting these deltas. We study the location and the multiplicity of these resonances for the case of one or two deltas and settle the basis for a generalization. Finally, we consider the harmonic oscillator and the infinite square well plus a singular potential at the origin. We see how the energy of bound states is affected by the singular perturbation.
Abstract This review presents time-independent perturbative methods for solving the one-dimensional Schrödinger equation, highlighting representative cases that reveal key aspects of the theory. The focus is on their relevance to quantum computing applications, particularly in systems with finite-dimensional state spaces. The main link between these methods and quantum processing emerges when we consider systems with only a finite number of well-defined energy levels, e.g., two levels corresponding to the ‘zero’ and ‘one’ states of a quantum bit (qubit), for which the Schrödinger equation describes a quantum algorithm corresponding to the unitary evolution of the qubits. Perturbative techniques can then be applied to this evolution to gain deeper insight into the algorithm or to simplify it in a controlled manner, as described in the last sections of this review. We initially discuss representative applications using benchmark cases that exemplify the essential features of perturbation theory while avoiding unnecessary technical complications. The methods presented involve direct approaches to solutions for quantum systems with small potential perturbations, with consideration of indirect and approximation techniques. Key cases examined include the particle in a potential well, the harmonic oscillator, and systems with polynomial or Dirac delta distribution perturbations, each chosen to highlight unique aspects of perturbative analysis. Starting with an overview of the unperturbed Schrödinger equation, we derive canonical solutions and then use perturbative techniques to approximate energy shifts and wavefunction corrections in both non-degenerate and degenerate settings. By combining theoretical discussion with case studies, this review underscores how perturbative methods are applied across a range of elementary quantum mechanical problems especially for applications in the qubit model, which, in many cases of interest, can be reduced to the explicit calculations shown here.
A consistent scheme is proposed for quantizing the potential amplitude in the one-dimensional Schrödinger equation in the case of negative energies (lying in the discrete-spectrum domain). The properties of the eigenfunctions ϕ n ( x ) and eigenvalues α n corresponding to zero, small, and large absolute values of energy E < 0 are analyzed. Expansion in the set ϕ n ( x ) is used to develop a regular perturbation theory (for E < 0), and a general expression is found for the Green function associated with the time-independent Schrödinger equation. A similar method is used to solve several physical problems: the polarizability of a weakly bound quantum-mechanical system, the two-center problem, and the tunneling of slow particles through a potential barrier (or over a potential well). In particular, it is shown that the transmission coefficient for slow particles is anomalously large (on the order of unity) in the case of an attractive potential is characterized by certain critical values of well depth. The proposed approach is advantageous in that it does not require the use of continuum states.
Abstract It is well known that quantum-mechanical perturbation theory often gives rise to divergent series that require proper resummation. Here I discuss simple ways in which these divergences can be avoided in the first place. Using the elementary technique of relaxed fixed-point iteration, I obtain convergent expressions for various challenging ground-states wave functions, including quartic, sextic and octic anharmonic oscillators, the hydrogenic Zeeman problem, and the Herbst-Simon Hamiltonian (with finite energy but vanishing Rayleigh-Schrödinger coefficients), all at arbitarily strong coupling. These results challenge the notion that non-analytic functions of coupling constants are intrinsically “non-perturbative”. A possible application to exact diagonalization is briefly discussed.
We explore the non-Hermitian extension of quantum chemistry in the complex plane and its link with perturbation theory. We observe that the physics of a quantum system is intimately connected to the position of complex-valued energy singularities, known as exceptional points. After presenting the fundamental concepts of non-Hermitian quantum chemistry in the complex plane, including the mean-field Hartree-Fock approximation and Rayleigh-Schrödinger perturbation theory, we provide a historical overview of the various research activities that have been performed on the physics of singularities. In particular, we highlight seminal work on the convergence behaviour of perturbative series obtained within Møller-Plesset perturbation theory, and its links with quantum phase transitions. We also discuss several resummation techniques (such as Padé and quadratic approximants) that can improve the overall accuracy of the Møller-Plesset perturbative series in both convergent and divergent cases. Each of these points is illustrated using the Hubbard dimer at half filling, which proves to be a versatile model for understanding the subtlety of analytically-continued perturbation theory in the complex plane.