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Journal of Mathematical Physics

Recurrence relations for two-center harmonic oscillator integrals and their solutions using generating functions

Muneer Ahmad Rashid

Published Feb 1, 1989• 3 citations
Publisher

Abstract

Using the algebraic second quantization formalism, the general recurrence relations for some two-center harmonic oscillator integrals are obtained. The various known special cases for one-center integrals are evident in the formalism. Generating functions for these integrals are obtained and most of them are solved to find explicit expressions for polynomial, exponential, and Gaussian operator integrals. For these cases, all the generating integrals needed for utilizing the recurrence relations are also calculated in their simplest forms.

DOI
10.1063/1.528458

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Using the algebraic second quantization formalism, the general recurrence relations for some two-center harmonic oscillator integrals are obtained. The various known special cases for one-center integrals are evident in the formalism. Generating functions for these integrals are obtained and most of them are solved to find explicit expressions for polynomial, exponential, and Gaussian operator integrals. For these cases, all the generating integrals needed for utilizing the recurrence relations are also calculated in their simplest forms.
Abstract This paper advocates writing the eigenfunctions of the harmonic oscillator without Hermite polynomials, by means of the following recurrence relation: Ψ n = 2 α / n x Ψ n − 1 − ( n − 1 ) / n Ψ n − 2 ( n > 0 ) , with Ψ 0 = ( α / π ) 1 / 4 e − α x 2 / 2 . It is easy to prove that these functions are eigenfunctions of the harmonic oscillator. It is shown that many of the exercises related to the harmonic oscillator found in textbooks can be solved in a simple and elegant way by using this recurrence relation.
The harmonic oscillator is a useful model for the interpretation of many physical phenomena. It is used as a first approximation to the vibration of molecules and crystal lattices and for the quantization of electromagnetic fields, among other applications. One can solve the time-independent Schrodinger equation for the harmonic oscillator in many different ways; operator methods give rise to recurrence relations and generating functions for the stationary states. The coordinate representation renders the coordinate operator diagonal. In this particular representation the eigenvectors of the harmonic oscillator are functions of the coordinate that are commonly expressed in terms of Hermite polynomials. The chapter shows that calculation with the eigenfunctions of the harmonic oscillator is remarkably simple in the realm of the Lie algebras. The application of the bosonic algebra in theoretical physics and chemistry is so vast that it is impossible even to give a reasonable summary. An important application of the bosonic algebra is the modeling of simple quantum-mechanical systems.
Multidimensional harmonic oscillator matrix elements of arbitrary products of exponentials for operators containing only linear and quadratic terms in the creation and annihilation operators are obtained. A simple and straightforward method is presented that leads to recurrence relations and generating functions for such matrix elements. Results are shown to be general enough to cover the cases of Franck–Condon overlaps, transition probabilities for time-dependent harmonic oscillators, and correlation functions for electronic spectra.
Harmonic oscillator model,the physical method of which enjoys wide application in other related courses is the simplest but the most important model in quantum mechanics.On one hand,profound understanding of harmonic oscillator model through various ways is crucial to understand the essence of quantum mechanics and research into micro physical models by means of quantum mechanics;on the other hand,the application of algebraic approach to solve the eigenvalues and wave function of mechanics is the main means to solve the actual problems in quantum mechanics.This paper will take harmonic oscillator as an example,and apply algebraic approach to firstly present wave function of one-dimensional harmonic oscillator,and then multi-dimensional harmonic oscillator,and also combine corresponding commutator relations of operator to present Hermite polynomials and its recursion relations,which will avoid the process of using series to solve the equation of Heimite.Meanwhile,it will improve some shortcomings revealed in the same paper.
The harmonic oscillator is one of the most studied systems in Physics with a myriad of applications. One of the first problems solved in a Quantum Mechanics course is calculating the energy spectrum of the simple harmonic oscillator with analytic and algebraic approaches. In the algebraic solution, creation and annihilation operators are introduced to factorize the Hamiltonian. This work presents an algebraic solution for the simple harmonic oscillator in the context of Classical Mechanics, exploring the Hamiltonian formalism. In this solution, similarities between the canonical coordinates in a convenient basis for the classical problem and the corresponding operators in Quantum Mechanics are highlighted. Moreover, the presented algebraic solution provides a straightforward procedure for the quantization of the classical harmonic oscillator, motivating and justifying some operator definitions commonly used to solve the correspondent problem in Quantum Mechanics.