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Journal of Mathematical Physics

Reduced Matrix Elements of Tensor Operators

J S Briggs

Published Apr 1, 1970• 4 citations
Publisher

Abstract

Reduced matrix elements of a tensorial product of n tensor operators in the basis of N-particle angular-momentum eigenstates are expanded into a sum of products of n 1-particle reduced matrix elements and a single (N + n)-particle recoupling coefficient. Application of the formula is illustrated by specific examples. The method leaves the coupling schemes of N-particle states undisturbed, which allows summation over intermediate states in a product of matrix elements to be made for any number of factors. A formula is given for the sum of products of two matrix elements and the extension to a greater number of matrix elements is illustrated by an example which is reduced to a form suitable for numerical evaluation. Such summations over products of matrix elements occur in the perturbation theory of configuration interaction and have hitherto been discussed in terms of effective operators. The connection of the method used here with the effective-operator approach is demonstrated.

DOI
10.1063/1.1665248

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Reduced matrix elements of a tensorial product of n tensor operators in the basis of N-particle angular-momentum eigenstates are expanded into a sum of products of n 1-particle reduced matrix elements and a single (N + n)-particle recoupling coefficient. Application of the formula is illustrated by specific examples. The method leaves the coupling schemes of N-particle states undisturbed, which allows summation over intermediate states in a product of matrix elements to be made for any number of factors. A formula is given for the sum of products of two matrix elements and the extension to a greater number of matrix elements is illustrated by an example which is reduced to a form suitable for numerical evaluation. Such summations over products of matrix elements occur in the perturbation theory of configuration interaction and have hitherto been discussed in terms of effective operators. The connection of the method used here with the effective-operator approach is demonstrated.
Formulas are obtained which give the matrix representation, relative to a product basis, of the projection operator for the total angular momentum of a system. If the individual angular momenta are not too large, the matrix elements depend upon a small number of parameters, independent of the number of angular momenta coupled. Recurrence relations between elements and symmetry properties of elements are derived. These results enable one to perform the vector coupling of a large number of angular momenta in a relatively simple fashion. The connection between the matrix elements and vector coupling coefficients is discussed. Several important special cases are treated in detail.
Abstract The reduced matrix elements of products of tensor operators, coupled to form a non‐zero rank, are investigated to emphasize the importance of correctly incorporating all tensorial couplings. It has recently been realized that serious inaccuracies can arise, in some cases, unless the complete many body nature of the full operator and the states involved is properly incorporated. Exact results are presented for one‐ and two‐body operators which include all couplings and compare and contrast them with some approximate methods.
A detailed exposition of explicit formulas used in the evaluation of raising-lowering forms of two-body-operator matrix elements is presented. The methods are based on the use of the unitary group distinct row table and graphical representation of the many-particle basis. All matrix elements are expressible in terms of scalar and simple matrix factors. In order to facilitate the derivations of simple, computationally efficient forms for the matrix factors, we utilize a recently developed calculus based on elementary graphs. The methods are applicable to systems of particles involving spins greater than (1/2 and reduce to previously known results for the case of spin (1/2.
This is the first in a series of papers. It deals with the linked-cluster summation of the perturbation series in quantum mechanics and quantum statistical physics. In particular, a formalism is developed for calculating the matrix element of the operator exp(+sH)\mathrm{exp}(+sH)exp(+sH), where HHH is the quantum-mechanical Hamiltonian operator. It is found that the matrix element may be written as an ordinary ccc-number integral of a ccc-number function over the phase space. This function is found by doing a linked-cluster summation of the usual perturbation series. It is in the form of an exponential of an effective Hamiltonian, Heff{H}_{\mathrm{eff}}Heff​, which is a function of the parameter sss and the ccc-number momentum and position coordinates. We have assumed that the Hamiltonian has no spin-dependent terms. The matrix element is written in such a form that it may be used for calculating the transition matrix elements in time-dependent perturbation theory as well as for calculating the canonical partition function ZN{Z}_{N}ZN​ in quantum statistical mechanics. The former is obtained by substituting $s=\ensuremath{-}\frac{\mathrm{it}}{\ensuremath{\hbar}}$ and the latter by substituting $s=\ensuremath{-}\ensuremath{\beta}$. The series for Heff{H}_{\mathrm{eff}}Heff​ depends only on the potential and is independent of the statistics. The effects of the statistics (Bose-Einstein, Fermi-Dirac, or Maxwell-Boltzmann) are all included in a certain factor multiplying exp(sHeff)\mathrm{exp}(s{H}_{\mathrm{eff}})exp(sHeff​). Thus we have succeeded in separating the statistical and quantum corrections. These latter arise from the noncommutativity of the position and momentum operators. The effective Hamiltonian is an infinite series. A diagrammatic technique is given for evaluating this series. It is an expansion in powers of the coupling constant and can also be expanded in powers of Planck's constant. In general, it is not possible to give a closed-form expression for Heff{H}_{\mathrm{eff}}Heff​. But for most practical cases it is sufficient to keep the first few powers of Planck's constant $\ensuremath{\hbar}$, because it is very small. We therefore have an entirely new method of approximation. The statistical effect may always be included exactly. No numerical estimates are made in this paper.
Simple and efficient methods for adding angular momenta and for finding angular momentum eigenstates for systems of equivalent electrons are developed. Seniority quantum numbers and coefficients of fractional parentage are presented in a simple manner which does not require 6- and 9-j symbols or knowledge of group theory. Several different common representations are used in specific examples. The transformation matrices between jj- and LS-coupled states are explicitly introduced as an example of change of representation and are used to find matrix elements of the spin-orbit interaction and to examine the Zeeman effect in the two representations. The material is suitable for a graduate course in quantum mechanics.