© 2026 Aqora Quantum S.A.S.

Terms Privacy Legal Notice

Journal of Mathematical Physics

Studies in Perturbation Theory. IX. Connection Between Various Approaches in the Recent Development—Evaluation of Upper Bounds to Energy Eigenvalues in Schrödinger's Perturbation Theory

Per‐Olov Löwdin

Published Aug 1, 1965• 178 citations

Abstract

The treatment of Schrödinger's perturbation theory based on the use of a series of inhomogeneous differential equations of iterative character is briefly surveyed. As an illustration, the method is used to derive the general expression for the expectation value of the Hamiltonian to any order which provides an upper bound for the ground-state energy. It is indicated how the well-known theory for inhomogeneous equations may be utilized also in this special case. The solution of the Schrödinger equation by means of the partitioning technique and the concept of reduced resolvents is then treated. It is shown that the expressions obtained are most conveniently interpreted in terms of inhomogeneous differential equations. A study of the connection with the first approach reveals that the two methods are essentially equivalent, but also that the use of reduced resolvents and inverse operators may give an alternative insight in the mathematical structure of perturbation theory, particularly with respect to the ``bracketing theorem'' and the use of power series expansions with a remainder. In conclusion, it is emphasized that the combined use of the two methods provides a simpler and more powerful tool than any one of them taken separately.

DOI: 10.1063/1.1704781

Related papers

New Developments in Time-Independent Quantum-Mechanical Perturbation Theory

Gerald I. Kerley

This report discusses two new ideas for using perturbation methods to solve the time-independent Schrödinger equation. The first concept begins with rewriting the perturbation equations in a form that is closely related to matrix diagonalization methods. That allows a simple, compact derivation of the standard (Rayleigh-Schrödinger) equations. But it also leads to a new iterative solution method that is not based on the usual power series expansion. The iterative method can also be used when the unperturbed system is two-fold degenerate. The second concept is quite different from the first but compatible with it. It is based on the fact that one can replace the true Hamiltonian with a synthetic Hamiltonian having the same eigenvalues. This approach allows one to cancel part of the perturbation and to reduce the size of the off-diagonal matrix elements, giving better convergence of the series. These methods are illustrated by application to three perturbed harmonic oscillator problems--a 1-D oscillator with a linear perturbation, a 1-D oscillator with a quartic perturbation, and a perturbed 2-D oscillator, which involves degenerate states. The iterative method and the synthetic Hamiltonian method are shown to give significantly better results than the standard method.

arXiv:1306.6912•Jun 24, 2013•0 citations

Quantum-mechanical perturbation theory

John P. Killingbeck

Modern computers have made possible the evaluation of higher order terms of perturbation series. Apart from the empirical work involving numerical calculations, much formal mathematical work has been done on the convergence properties of perturbation series and of Pade approximants which represent them. Some of the modern work in perturbation theory is reviewed in the context of traditional results from the theory of real and complex variables. The two major versions of time-independent perturbation theory, the Rayleigh-Schrodinger (RS) and Brillouin-Wigner (BW) theories, are compared and contrasted, and the alternative techniques for evaluating the terms in the energy series are discussed. The sum-over-states method, the differential equation method and the variational principle method are treated, with emphasis on their inter-relations.

Reports on Progress in Physics•Sep 1, 1977•163 citations

Convergent Schrödinger Perturbation Theory

Gerald Speisman

A formulation of Schr\"odinger perturbation theory is developed that gives a unified treatment of non-degenerate and degenerate cases, is unique, and has a nonzero radius of convergence under very general conditions. Two alternative procedures are given for finding perturbed eigenvectors, one of which is simpler for the nondegenerate case or for small finite degeneracy, the other simpler for infinite or large finite degeneracy. The low-order terms in the perturbation expansions of quantities used in applications are given. The perturbation theory formulated in this paper has the following advantages over the conventional Schr\"odinger and Brillouin-Wigner perturbation theories: (i) When the convergence criterion is satisfied, bounds on the error made in replacing an appropriate infinite perturbation series by its first $n$ terms can be obtained. (ii) For the case of degeneracy, the conventional Schr\"odinger perturbation theory can break down under conditions to which the convergence of the perturbation theory developed in this paper are insensitive. (iii) There is no implicit dependence on the eigenvalue, such as appears in the Brillouin-Wigner perturbation theory. (iv) For the case of degeneracy, statistical information about the distribution of certain eigenvalues can be obtained without finding the individual eigenvalues. (v) The theory is applicable to a wider class of problems than the conventional Schr\"odinger and Brillouin-Wigner perturbation theories.

Physical Review•Aug 15, 1957•28 citations

Equivalence of two alternative approaches to Schrodinger equations

B. Gönül, Koray Köksal

Recently developed simple approach for the exact/approximate solution of Schrodinger equations with constant/position-dependent mass, in which the potential is considered as in the perturbation theory, is shown to be equivalent to the one leading to the construction of exactly solvable potentials via the solution of second-order differential equations in terms of known special functions. The formalism in the former solves difficulties encountered in the latter in revealing the corrections explicitly to the unperturbed piece of the solutions whereas the other obviate cumbersome procedures used in the calculations of the former.

•Dec 23, 2005•3 citations

Formulation of Quantum Mechanical Perturbation Theory

Edwin M. Roberts

A new expression is found for the perturbation energy, with the principle feature that it is in remainder form. The remainder is first applied or manipulated to obtain the familiar infinite series of perturbation theory. Secondly, an iterative procedure for solving the Schrödinger equation is proposed. It is shown, by making use of the remainder, that this procedure leads to results equivalent, in the small perturbation limit, to the results of perturbation theory.

American Journal of Physics•Oct 1, 1966•0 citations

Equivalence of two alternative approaches to Schrödinger equations

B Gönül, K Köksal

Recently developed simple approach for the exact/approximate solution of Schrodinger equations with constant/position-dependent mass, in which the potential is considered as in the perturbation theory, is shown to be equivalent to the one leading to the construction of exactly solvable potentials via the solution of second-order differential equations in terms of known special functions. The formalism in the former solves difficulties encountered in the latter in revealing the corrections explicitly to the unperturbed piece of the solutions whereas the other obviate cumbersome procedures used in the calculations of the former.

arXiv:quant-ph/0512216•Physica Scripta•May 15, 2006•5 citations

The treatment of Schrödinger's perturbation theory based on the use of a series of inhomogeneous differential equations of iterative character is briefly surveyed. As an illustration, the method is used to derive the general expression for the expectation value of the Hamiltonian to any order which provides an upper bound for the ground-state energy. It is indicated how the well-known theory for inhomogeneous equations may be utilized also in this special case. The solution of the Schrödinger equation by means of the partitioning technique and the concept of reduced resolvents is then treated. It is shown that the expressions obtained are most conveniently interpreted in terms of inhomogeneous differential equations. A study of the connection with the first approach reveals that the two methods are essentially equivalent, but also that the use of reduced resolvents and inverse operators may give an alternative insight in the mathematical structure of perturbation theory, particularly with respect to the ``bracketing theorem'' and the use of power series expansions with a remainder. In conclusion, it is emphasized that the combined use of the two methods provides a simpler and more powerful tool than any one of them taken separately.

This report discusses two new ideas for using perturbation methods to solve the time-independent Schrödinger equation. The first concept begins with rewriting the perturbation equations in a form that is closely related to matrix diagonalization methods. That allows a simple, compact derivation of the standard (Rayleigh-Schrödinger) equations. But it also leads to a new iterative solution method that is not based on the usual power series expansion. The iterative method can also be used when the unperturbed system is two-fold degenerate. The second concept is quite different from the first but compatible with it. It is based on the fact that one can replace the true Hamiltonian with a synthetic Hamiltonian having the same eigenvalues. This approach allows one to cancel part of the perturbation and to reduce the size of the off-diagonal matrix elements, giving better convergence of the series. These methods are illustrated by application to three perturbed harmonic oscillator problems--a 1-D oscillator with a linear perturbation, a 1-D oscillator with a quartic perturbation, and a perturbed 2-D oscillator, which involves degenerate states. The iterative method and the synthetic Hamiltonian method are shown to give significantly better results than the standard method.

Modern computers have made possible the evaluation of higher order terms of perturbation series. Apart from the empirical work involving numerical calculations, much formal mathematical work has been done on the convergence properties of perturbation series and of Pade approximants which represent them. Some of the modern work in perturbation theory is reviewed in the context of traditional results from the theory of real and complex variables. The two major versions of time-independent perturbation theory, the Rayleigh-Schrodinger (RS) and Brillouin-Wigner (BW) theories, are compared and contrasted, and the alternative techniques for evaluating the terms in the energy series are discussed. The sum-over-states method, the differential equation method and the variational principle method are treated, with emphasis on their inter-relations.

A formulation of Schr\"odinger perturbation theory is developed that gives a unified treatment of non-degenerate and degenerate cases, is unique, and has a nonzero radius of convergence under very general conditions. Two alternative procedures are given for finding perturbed eigenvectors, one of which is simpler for the nondegenerate case or for small finite degeneracy, the other simpler for infinite or large finite degeneracy. The low-order terms in the perturbation expansions of quantities used in applications are given. The perturbation theory formulated in this paper has the following advantages over the conventional Schr\"odinger and Brillouin-Wigner perturbation theories: (i) When the convergence criterion is satisfied, bounds on the error made in replacing an appropriate infinite perturbation series by its first

n

terms can be obtained. (ii) For the case of degeneracy, the conventional Schr\"odinger perturbation theory can break down under conditions to which the convergence of the perturbation theory developed in this paper are insensitive. (iii) There is no implicit dependence on the eigenvalue, such as appears in the Brillouin-Wigner perturbation theory. (iv) For the case of degeneracy, statistical information about the distribution of certain eigenvalues can be obtained without finding the individual eigenvalues. (v) The theory is applicable to a wider class of problems than the conventional Schr\"odinger and Brillouin-Wigner perturbation theories.

Recently developed simple approach for the exact/approximate solution of Schrodinger equations with constant/position-dependent mass, in which the potential is considered as in the perturbation theory, is shown to be equivalent to the one leading to the construction of exactly solvable potentials via the solution of second-order differential equations in terms of known special functions. The formalism in the former solves difficulties encountered in the latter in revealing the corrections explicitly to the unperturbed piece of the solutions whereas the other obviate cumbersome procedures used in the calculations of the former.

Recently developed simple approach for the exact/approximate solution of Schrodinger equations with constant/position-dependent mass, in which the potential is considered as in the perturbation theory, is shown to be equivalent to the one leading to the construction of exactly solvable potentials via the solution of second-order differential equations in terms of known special functions. The formalism in the former solves difficulties encountered in the latter in revealing the corrections explicitly to the unperturbed piece of the solutions whereas the other obviate cumbersome procedures used in the calculations of the former.