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Journal of the Physical Society of Japan

Expansion Theorem of Density Matrix, Virial Expansion and New Formula of Multiple Scattering

Toshio Yokota

Published May 1, 1960• 16 citations
Publisher

Abstract

Expansion formulas for density matrices are derived with the use of the calculus of ordered exponentials. Using the formulas the expressions for virial coefficients are explicitly obtained. The expression of the third virial coefficient is calculated to obtain its expansion formula in terms of \(\hbar^{2}\beta/M\). The expansion formulas for density matrices can be used to derive a new formula of multiple scattering, which involves Luttinger and Kohn's formula as a special case. The expansion formula for the normalized density matrix is also given. Expansion formulas which are to the applied to irreversible processes and relaxation phenomena are also given.

DOI
10.1143/jpsj.15.779

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Expansion formulas for density matrices are derived with the use of the calculus of ordered exponentials. Using the formulas the expressions for virial coefficients are explicitly obtained. The expression of the third virial coefficient is calculated to obtain its expansion formula in terms of (\hbar^{2}\beta/M). The expansion formulas for density matrices can be used to derive a new formula of multiple scattering, which involves Luttinger and Kohn's formula as a special case. The expansion formula for the normalized density matrix is also given. Expansion formulas which are to the applied to irreversible processes and relaxation phenomena are also given.
Two distinct approaches have been followed to produce an approximate expression for the third virial coefficient of a quantum system in terms of the pertinent two-particle quantities (standard T matrix elements and bound state eigenvalues and eigenstates): One approach is based on the T approximation for the self-energy in the theory of temperature Green functions, and the other uses the diagrams which represent the various terms in the multiple-scattering expansion of the three-particle T operator. It is shown that the result given by the former method is reproduced exactly by the contribution of a small number of selected diagrams. The Green function method requires the evaluation of the Kadanoff and Baym generalized T matrix to one order in the activity higher than its familiar low-density limit. The common result can be written entirely in terms of the lowest order self-energy and should give a reasonable approximation to the third virial coefficient for systems with short-range forces.
We present a new, completely rigorous way of proving the relation between the second virial coefficient and the SSS matrix. The method involves the use of the ${U}_{2,\ensuremath{\infty}}$ function introduced by Lee and Yang and proceeds in the most straightforward manner. Although difficulties are encountered for virial coefficients of higher order, there is hope that this type of approach might shed some light on the question of the connection between the virial series and the scattering matrix.
The quantum theory of the third virial coefficient CCC is discussed. Three types of intermolecular pair forces must be distinguished. (1) No bound or low-lying two- and/or three-body states exist. The first four terms of the low-temperature expansion of CBE{C}_{\mathrm{BE}}CBE​ are obtained. They depend on the scattering length, the effective range, and a third length which cannot be inferred from scattering data. The limitations of the applicability of such expansions are discussed, both for He4{\mathrm{He}}^{4}He4 and He3{\mathrm{He}}^{3}He3, by means of a comparison of the corresponding expansion for the second virial coefficient BBB with detailed numerical results known for specific potentials. (2) Existence of a near zero energy level both for the two- and the three-body system. It is shown how in this case the actual potentials may be replaced by suitably matched boundary conditions on the two- and the three-body wave functions near the respective coordinate origins. It is first explained how the method applies to BBB. Then the leading term of CCC is explicitly determined. (3) Existence of strongly bound two- and three-body states. An approximate expression for CCC is given by treating the single atoms and the binary and ternary compounds as a system of three ideal gases in chemical equilibrium.
We present a field theoretic method for the calculation of the second and third virial coefficients b2{b}_{2}b2​ and b3{b}_{3}b3​ of two-species fermions interacting via a contact interaction. The method is mostly analytic. We find a closed expression for b3{b}_{3}b3​ in terms of the two- and three-body TTT matrices. We recover numerically, at unitarity, and also in the whole Bose-Einstein-condensate--BCS crossover, previous numerical results for the third virial coefficient b3{b}_{3}b3​.
A general method of calculation is described for quantum statistical mechanics. It is based on a simplification of the Laplace transform of the density matrix which follows from a theorem due to Hugenholtz. The basic result is that an element of the density matrix can be written as a sum over graphs, with the contribution of each graph factored into contributions from connected or linked graphs. Applied to the grand partition function, the exponential formula of Bloch and DeDominicis is obtained in a simple way. A similar formula is then derived for the canonical ensemble for the case of a nondegenerate gas. In this way the familiar result of Uhlenbeck and Beth is obtained for the second virial coefficient. Techniques are also introduced for evaluating ensemble averages of operators. In this connection, some care must be exercised in the case of diagonal operators. Finally, these methods are used to calculate the pair-correlation function for a system of fermions interacting through short-range forces.
Cluster coefficients for a quantum gas can be related by means of a Laplace transform to the resolvent of an interacting system. Techniques developed by Faddeev are applied in order to express resolvents in terms of quantities which satisfy coupled integral equations. The resulting theory for the cluster coefficients is free of convergence difficulties encountered in series expansions of those coefficients in terms of a binary-collision kernel or two-body scattering matrix. Present computational difficulties necessitate an approximate solution of the Faddeev equations. The assumption of a separable two-body scattering matrix makes possible such a solution and a subsequent calculation of cluster coefficients.