A linked-cluster expansion for the free energy in the petit canonical ensemble is presented and proved. It has the advantage of avoiding the introduction of the unknown chemical potential in the perturbation series. As a consequence of correlations among the population numbers
n(K), additional linkages representing these correlations appear. The result is used to find the ground-state energy of a many-body fermion system. This expression reduces to the Brueckner-Goldstone expansion only in the case of central forces in an isotropic system, a theorem due to Kohn, Luttinger, and Ward. It is also shown that in the random phase approximation, correlation bonds do not contribute. Finally the relation of our formalism to the Bloch-De Dominicis expansion for the grand partition function is discussed.
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), where
H is the quantum-mechanical Hamiltonian operator. It is found that the matrix element may be written as an ordinary
c-number integral of a
c-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, which is a function of the parameter
s and the
c-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 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 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). 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. 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.
In the quantum statistical method of Lee and Yang, the cluster functions of quantum statistics are expressed in terms of the cluster functions of Boltzmann statistics, which in turn are computed in terms of certain two-body functions. In the present paper, following a detailed study of the Boltzmann cluster functions, it is shown that the symmetric representation can be used for the two-body functions and that large classes of diagrams can be summed. This leads to the introduction of linked-pair graphs to describe the functions of quantum statistics. The two-body functions are expressed in terms of two-body wave functions, and are therefore well-defined for hard-core repulsions. For weak potentials the method is shown to be equivalent to the theory of Bloch and DeDominicis.
A systematic generalization of the Mayer cluster integral theory has been developed to deal with the quantum statistics of interacting particles. The grand partition function appears in a natural way and the cluster integrals are integrals over propagators which are derived from the Green's function solution of the Bloch equation (which follows from the Schroedinger equation by replacing it/ℏ by β = 1/kT). Every cluster integral can be represented by a hybrid of a Mayer graph and a Feynman diagram in (β, r) space. The generalization of classical ring cluster integrals has been analyzed. It is shown that in the case of the electron gas the classical limit of the contribution of these integrals to the grand partition function yields the Debye-Huckel theory while the low temperature limit leads to the Gell-Mann—Brueckner equation for the correlation energy of the ground state. A prescription is given for the construction of the cluster integral associated with any given diagram.
A new method of calculating the grand partition function of many-body system is developed, adopting extensively the techniques of calculus in quantum field theory. It is shown that the grand partition function, which is a trace of the density matrix expressed in terms of field operators, can be evaluated in a way almost parallel with the evaluation of the vacuum expectation value of the S-matrix in quantum field theory, provided that appropriate modifications in notation and definitions are made. As an example, the method is applied to electron-phonon system. Further, basing on this new formalism, various non-perturbational methods are discussed.