Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

International Journal of Quantum Chemistry

New perturbation method with the matching of wave functions

Miloslav Znojil

Published Jan 1, 2000• 0 citations
Publisher

Abstract

We propose a new approach to the Rayleigh–Schrödinger perturbation expansions of bound states in quantum mechanics. We are inspired by the enormous flexibility of solvable interactions with several (N) discontinuities. Their standard matching solution is modified and transferred in perturbation regime. We employ the global renormalization freedom of the local wave functions and derive a compact N-dimensional matrix formula for corrections. In applications, our recipe is shown non-numerical for all polynomial perturbations of any piecewise constant zero-order potential. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 79: 235–242, 2000

DOI
10.1002/1097-461x(2000)79:4<235::aid-qua4>3.3.co;2-d

Related papers

New perturbation method with the matching of wave functions

Miloslav Znojil

We propose a new approach to the Rayleigh–Schrödinger perturbation expansions of bound states in quantum mechanics. We are inspired by the enormous flexibility of solvable interactions with several (N) discontinuities. Their standard matching solution is modified and transferred in perturbation regime. We employ the global renormalization freedom of the local wave functions and derive a compact N-dimensional matrix formula for corrections. In applications, our recipe is shown non-numerical for all polynomial perturbations of any piecewise constant zero-order potential. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 79: 235–242, 2000

International Journal of Quantum Chemistry•Jan 1, 2000•4 citations

New perturbation method with the matching of wave functions

Miloslav Znojil

We propose a new approach to the Rayleigh-Schrödinger perturbation expansions of bound states in quantum mechanics. We are inspired by the enormous flexibility of solvable interactions with several (N) discontinuities. Their standard matching solution is modified and transferred in perturbation regime. We employ the global renormalization freedom of the local wave functions and derive a compact N-dimensional matrix formula for corrections. In applications, our recipe is shown non-numerical for all polynomial perturbations of any piece-wise constant zero order potential.

arXiv:quant-ph/9812027•Dec 14, 1998•0 citations

Numerical Constructions of Perturbation Series in Quantum Mechanics

Miloslav Znojil

A few modified textbook Rayleigh-Schrödinger perturbative representations of bound states are reviewed. They were all inspired by an adaptive re-split of the Hamiltonian, using nonstandard bases and the flexibility of normalization of the wave functions.

arXiv:quant-ph/0008116•Aug 28, 2000•0 citations

About Approximation of Convergence Superoperators in Quantum Perturbation Theory

Dorota Bielińska-Wąż, Ivana Paidarová, Ph. Durand

Perturbation methods are generally used for solving wave operator equations associated with the determination of effective Hamiltonians.In many cases the standard Rayleigh-Schrödinger and Brillouin-Wigner series either converge slowly or diverge.Therefore it is necessary to modify or to renormalize the standard wave equations.For that purpose derivative and convergence superoperators within the Ralyeigh-Schrödinger and Brillouin-Wigner formalisms were introduced.A new efficient approximation for convergence superoperators is investigated in this paper.Its application to a model system of N non-interacting molecules shows that this approximation can overcome convergence difficulties.

Acta Physica Polonica A•Jun 1, 1997•0 citations

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

Notes on unitary transformations and Rayleigh-Schrodinger perturbation theory

Ahmed Azzi, Brahim Sadallah, Brahim Beladel

Rayleigh-Schrödinger time-independent perturbation theory is a key method in quantum mechanics for solving problems where the Hamiltonian of a quantum system cannot be exactly solved. By expanding the solutions in series, this method allows one to obtain approximations for quantum states and eigen-energies, especially for systems where the interactions or perturbing forces are small compared to the principal part of the Hamiltonian. This is crucial for understanding complex phenomena, predicting the behaviours of atomic and molecular systems, and calculating corrections to basic theoretical models, thereby improving the accuracy of quantum predictions. In this work, we will show that using the unitary operators, we arrive at the equations giving the different order of corrections of both energy as well as wave functions of the time-independent perturbation theory. Our approach closely mirrors the famous formalism of Rayleigh-Schrodinger perturbation theory (RSPT). The use of unitary operators simplifies the derivation of higher-order corrections, making the process more accurate and accessible to researchers. This technique harnesses the potential of unitary operators within a perturbation series framework. By combining these two powerful techniques, we offer a comprehensive framework for addressing normalization challenges in quantum mechanical calculations. This methodology not only facilitates a deeper understanding of perturbation theory but also serves as a pedagogical stepping stone, encouraging postgraduate researchers to apply their foundational knowledge and acquired skills in practical problem-solving situations with confidence. This is therefore a second proof or a new method to derive the fundamental equations of Rayleigh Schrodinger perturbation Theory RSPT using the unitary transformations.

STUDIES IN ENGINEERING AND EXACT SCIENCES•Jun 28, 2024•0 citations
We propose a new approach to the Rayleigh–Schrödinger perturbation expansions of bound states in quantum mechanics. We are inspired by the enormous flexibility of solvable interactions with several (N) discontinuities. Their standard matching solution is modified and transferred in perturbation regime. We employ the global renormalization freedom of the local wave functions and derive a compact N-dimensional matrix formula for corrections. In applications, our recipe is shown non-numerical for all polynomial perturbations of any piecewise constant zero-order potential. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 79: 235–242, 2000
We propose a new approach to the Rayleigh–Schrödinger perturbation expansions of bound states in quantum mechanics. We are inspired by the enormous flexibility of solvable interactions with several (N) discontinuities. Their standard matching solution is modified and transferred in perturbation regime. We employ the global renormalization freedom of the local wave functions and derive a compact N-dimensional matrix formula for corrections. In applications, our recipe is shown non-numerical for all polynomial perturbations of any piecewise constant zero-order potential. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 79: 235–242, 2000
We propose a new approach to the Rayleigh-Schrödinger perturbation expansions of bound states in quantum mechanics. We are inspired by the enormous flexibility of solvable interactions with several (N) discontinuities. Their standard matching solution is modified and transferred in perturbation regime. We employ the global renormalization freedom of the local wave functions and derive a compact N-dimensional matrix formula for corrections. In applications, our recipe is shown non-numerical for all polynomial perturbations of any piece-wise constant zero order potential.
Perturbation methods are generally used for solving wave operator equations associated with the determination of effective Hamiltonians.In many cases the standard Rayleigh-Schrödinger and Brillouin-Wigner series either converge slowly or diverge.Therefore it is necessary to modify or to renormalize the standard wave equations.For that purpose derivative and convergence superoperators within the Ralyeigh-Schrödinger and Brillouin-Wigner formalisms were introduced.A new efficient approximation for convergence superoperators is investigated in this paper.Its application to a model system of N non-interacting molecules shows that this approximation can overcome convergence difficulties.
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.
Rayleigh-Schrödinger time-independent perturbation theory is a key method in quantum mechanics for solving problems where the Hamiltonian of a quantum system cannot be exactly solved. By expanding the solutions in series, this method allows one to obtain approximations for quantum states and eigen-energies, especially for systems where the interactions or perturbing forces are small compared to the principal part of the Hamiltonian. This is crucial for understanding complex phenomena, predicting the behaviours of atomic and molecular systems, and calculating corrections to basic theoretical models, thereby improving the accuracy of quantum predictions. In this work, we will show that using the unitary operators, we arrive at the equations giving the different order of corrections of both energy as well as wave functions of the time-independent perturbation theory. Our approach closely mirrors the famous formalism of Rayleigh-Schrodinger perturbation theory (RSPT). The use of unitary operators simplifies the derivation of higher-order corrections, making the process more accurate and accessible to researchers. This technique harnesses the potential of unitary operators within a perturbation series framework. By combining these two powerful techniques, we offer a comprehensive framework for addressing normalization challenges in quantum mechanical calculations. This methodology not only facilitates a deeper understanding of perturbation theory but also serves as a pedagogical stepping stone, encouraging postgraduate researchers to apply their foundational knowledge and acquired skills in practical problem-solving situations with confidence. This is therefore a second proof or a new method to derive the fundamental equations of Rayleigh Schrodinger perturbation Theory RSPT using the unitary transformations.