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Journal of Mathematical Physics

Stationary Entropy Principle and Renormalization in Normal and Superfluid Systems. II. Diagrammatic Formulation

C. De Dominicis, Paul C. Martin

Published Jan 1, 1964• 255 citations
Publisher

Abstract

Quantum statistical mechanics is renormalized, that is, the thermodynamical functions and the ``bare'' ν-body potentials vν occurring in the Hamiltonian are expressed as functionals of the ν-body distribution functions Gν (the expectation values of 2ν field operators). The field operators are considered as having two components (creation and annihilation), and Gν thus has (2)2ν components. The renormalization is carried out for superfluid Bose systems for which it is necessary to consider the expectation values of 2ν = 1, 2, 3, 4 operators. Superfluid Fermi systems and normal systems appear as particular cases, described by expectation values of 2ν = 2, 4 operators. This problem, dealt with by algebraic methods in part I, is attacked here by diagrammatic methods. These methods are more dependent on convergence properties but the resulting functionals are obtained explicitly as power series of the Gν′s, the general term being represented by a class of diagrams characterized by their topological structure. In the final result, the entropy is exhibited as an explicit functional of the distribution functions Gν, (2ν = 1, 2, 3, 4), or more precisely, of functions directly related to them. This functional no longer involves the potentials (nor the equilibrium parameters). It is stationary under independent variations of the Gν′s, subject to the constraints of constant energy and particle number. The four equations of stationarity exhibit each function vν as a functional of the Gν′s, self-consistently defining these distribution functions.

DOI
10.1063/1.1704064

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Stationary Entropy Principle and Renormalization in Normal and Superfluid Systems. I. Algebraic Formulation

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This paper shows how the dynamical and thermodynamical properties of an interacting quantum mechanical system with many degrees of freedom may be expressed and calculated solely in terms of renormalized propagators and renormalized vertices or interactions. The formulation employed is sufficiently general to encompass systems which have several components, with Fermi or Bose statistics, whether or not they exhibit superfluidity or superconductivity. The process of renormalization is the functional generalization of the thermodynamic transformation from the chemical potential and temperature to the energy and matter densities. With each set of variables (here, functions) is associated a natural thermodynamic function (here a functional). The natural functional for the unrenormalized potentials which occur in the Hamiltonian is the logarithm of the grand partition function; the natural functional for the fully renormalized variables, the distribution functions, is the entropy. In particular, a stationarity principle for a functional F(2) of distribution functions subject to constraints is shown to provide a fully renormalized description of the system. The numerical value of this functional, at the stationarity point at which the distribution functions take their actual value, is the entropy of the system. The equations of stationarity are expressions for the unrenormalized ν-body potentials vν in terms of the ν′-body distribution functions Gν′. The functionals F(2) and vν (of the distribution functions Gν′) are expressed as the solutions of closed functional differential equations which may be used to generate their power-series expansions. For a superfluid Bose system, as for the electromagnetic field interacting with matter, it is necessary to consider expectation values of odd, as well as even, numbers of field operators. In particular it is necessary to employ the expectation values Gν for 2ν = 1, 2, 3, 4 field operators. For a fermion system, even if it is superconducting, only the functions Gν for 2ν = 2, 4 are required. In contrast to other thermodynamical functionals, the entropy functional F(2) makes no reference to equilibrium parameters such as temperature and chemical potential.

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Quantum statistical mechanics is renormalized, that is, the thermodynamical functions and the ``bare'' ν-body potentials vν occurring in the Hamiltonian are expressed as functionals of the ν-body distribution functions Gν (the expectation values of 2ν field operators). The field operators are considered as having two components (creation and annihilation), and Gν thus has (2)2ν components. The renormalization is carried out for superfluid Bose systems for which it is necessary to consider the expectation values of 2ν = 1, 2, 3, 4 operators. Superfluid Fermi systems and normal systems appear as particular cases, described by expectation values of 2ν = 2, 4 operators. This problem, dealt with by algebraic methods in part I, is attacked here by diagrammatic methods. These methods are more dependent on convergence properties but the resulting functionals are obtained explicitly as power series of the Gν′s, the general term being represented by a class of diagrams characterized by their topological structure. In the final result, the entropy is exhibited as an explicit functional of the distribution functions Gν, (2ν = 1, 2, 3, 4), or more precisely, of functions directly related to them. This functional no longer involves the potentials (nor the equilibrium parameters). It is stationary under independent variations of the Gν′s, subject to the constraints of constant energy and particle number. The four equations of stationarity exhibit each function vν as a functional of the Gν′s, self-consistently defining these distribution functions.
This paper shows how the dynamical and thermodynamical properties of an interacting quantum mechanical system with many degrees of freedom may be expressed and calculated solely in terms of renormalized propagators and renormalized vertices or interactions. The formulation employed is sufficiently general to encompass systems which have several components, with Fermi or Bose statistics, whether or not they exhibit superfluidity or superconductivity. The process of renormalization is the functional generalization of the thermodynamic transformation from the chemical potential and temperature to the energy and matter densities. With each set of variables (here, functions) is associated a natural thermodynamic function (here a functional). The natural functional for the unrenormalized potentials which occur in the Hamiltonian is the logarithm of the grand partition function; the natural functional for the fully renormalized variables, the distribution functions, is the entropy. In particular, a stationarity principle for a functional F(2) of distribution functions subject to constraints is shown to provide a fully renormalized description of the system. The numerical value of this functional, at the stationarity point at which the distribution functions take their actual value, is the entropy of the system. The equations of stationarity are expressions for the unrenormalized ν-body potentials vν in terms of the ν′-body distribution functions Gν′. The functionals F(2) and vν (of the distribution functions Gν′) are expressed as the solutions of closed functional differential equations which may be used to generate their power-series expansions. For a superfluid Bose system, as for the electromagnetic field interacting with matter, it is necessary to consider expectation values of odd, as well as even, numbers of field operators. In particular it is necessary to employ the expectation values Gν for 2ν = 1, 2, 3, 4 field operators. For a fermion system, even if it is superconducting, only the functions Gν for 2ν = 2, 4 are required. In contrast to other thermodynamical functionals, the entropy functional F(2) makes no reference to equilibrium parameters such as temperature and chemical potential.
Thermodynamical functions are expressed by perturbation theory as stationary functionals of the 1-, and 2-body potentials; the stationary conditions yield the 1-, and 2-body correlation functions in terms of the potentials. Through the use of diagramatic methods, it is possible to explicitly invert these relations and express the potentials in terms of the correlation functions; in turn the thermo-dynamical functions become stationary functionals of the correlation functions. This procedure is carried out for normal (quantum and classical) systems. For superfluid systems, 12−,32− body potentials, and correlation functions need also be considered and the above procedure becomes imperative to eliminate the nonphysical 12−,32− body potentials. Its first two steps are illustrated, and various features of this formulation and its usefulness are discussed.
Diagrammatic analysis for normal state of Hubbard model proposed in our previous paper is generalized and used to investigate superconducting state of this model. We use the notion of charge quantum number to describe the irreducible Green's function of the superconducting state. As in the previous paper we introduce the notion of tunneling Green's function and of its mass operator. This last quantity turns out to be equal to correlation function of the system. We proved the existence of exact relation between renormalized one-particle propagator and thermodynamic potential which includes integration over auxiliary interaction constant. The notion of skeleton diagrams of propagator and vacuum kinds were introduced. These diagrams are constructed from irreducible Green's functions and tunneling lines. Identity of this functional to the thermodynamic potential has been proved and the stationarity with respect to variation of the mass operator has been demonstrated.
A general nonperturbation problem, described by the Hamiltonian H\mathcal{H}H, is considered. Approximate creation operators ${{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$ are defined as operators which satisfy the Hamiltonian commutator equations $[\mathcal{H},{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}]={\ensuremath{\omega}}_{i}{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}+{{R}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$, where ${\ensuremath{\omega}}_{i}$ are the creation energies, and the remainder operators ${{R}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$ are small in the sense that statistical averages involving the ${{R}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$ are small. A zeroth approximation is to neglect the ${{R}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$. In this case, a straight-forward derivation provides general relations between statistical averages such as $〈{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}\ensuremath{\Omega}〉$ and $〈{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}\ensuremath{\Omega}\ifmmode\pm\else\textpm\fi{}\ensuremath{\Omega}{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}〉$, where $\ensuremath{\Omega}$ is any operator. The usual boson and fermion occupation numbers are a trivial result of these zeroth-order relations. Corrections to the general zeroth-order relations arise from the ${{R}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$; such corrections are considered in the spirit of perturbation theory. An explicit first-order correction is obtained for the averages $〈{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}{\ensuremath{\theta}}_{i}〉$, and this correction is related to a self-consistent energy-renormalization procedure. The present method is similar to the method of thermodynamic Green's functions in that the derivations given here do not require evaluation of any state vectors or of the partition function. The general results are applied to the Heisenberg ferromagnet problem. At low temperatures, the zeroth-order relations give the Bloch spin-wave results, and an approximate evaluation of the first-order contribution gives the leading term in Dyson's T4{T}^{4}T4 correction to the spontaneous magnetization. For arbitrary temperatures, the zeroth-order relations give the Tyablikov equations for 〈Sz〉〈{S}^{z}〉〈Sz〉, and Callen's results are obtained from the first-order corrections. These examples illustrate the simplicity of calculating statistical averages of functions of the ${{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$, ${\ensuremath{\theta}}_{i}$ operators by the present method.
A theory of superfluidity (S.F.) is developed from first principles using two novel concepts, (1) that of a 'superfluid Ensemble' (S.E.) i.e. a 'Restricted Ensemble' constructed from a 'Separable Phase Space' (S.P.S.) admitting independent configurations, at least one set of which are statistically equivalent. (2) The notion of 'Dynamical Equivalence' (D.E.), satisfied if and only if (i) all dynamical symmetries are rearranged (not broken) for two Lagrangian formulations of the same problem and if (ii) the expectation values of all the constants of motion are the same, even if their functional expressions are not. The dynamical variables (d.v.) of the S.P.S. are defined from the ('q' and 'c' number) fields of the most general 'Linear Coherent State Representation', more general than those of Glauber and Bogoljubov-Valatin combined. Three independent pairs of d.v. are obtained. D.E. is proven for the Ideal Bose Gas and for a non-linear, interacting zero order Bose problem (I.Z.O.P.). An exact relation is obtained from the action principle, ensuring the cancellation of 'low and high order dangerous diagrams'. From this it follows that D.E. for the exact interacting problem must be demonstrable at infinite order of perturbation, in the finite volume limit. The I.Z.O.P. is posed in the Random Phase Approximation (R.P.A.), free from 'anomalous averages' and solved for the three branches of the excitation spectrum in a pure state description; the lowest branch is gapless, whilst the upper two coincide and show a gap. The standard strategy of linearization is found to be faulty. The partition functions for both superfluid and non-superfluid ensembles are obtained for the I.Z.O.P. in the R.P.A. The coincident upper two branches (in a pure state description) split into a band in thermal equilibrium for the superfluid ensemble, in agreement with an upper band recently observed experimentally. O.D.L.R.O. is found in the second reduced density matrix, but ruled out in the first. Integral equations are obtained in thermal equilibrium - for the I.Z.O.P. in the R.P.A.; which differ, however, from those of existing approaches for the same problem. Most existing theories of S.F. are in fact shown not to predict superfluid behaviour. The present theory is applicable to arbitrary Bose or Fermi systems, whether superfluid or not. O.D.L.R.O. is found to be sufficient for SF. No a priori assumption is made as to the occurrence of Bose-Einstein condensation, its existence being here contingent on the solution of the integral equation; in any case, it is not to be associated with O.D.L.R.O. or S.F.
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