A general nonperturbation problem, described by the Hamiltonian
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 correction to the spontaneous magnetization. For arbitrary temperatures, the zeroth-order relations give the Tyablikov equations for
〈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.
The method of correlated basis functions provides a means of systematically exploiting our intuitive understanding of real physical systems. Here we seek especially to develop a formalism for describing systems of strongly interacting fermions, for example, nuclei and liquid
He3, using a complete set of correlated functions ${\ensuremath{\Psi}}_{\mathrm{m}}=\frac{F{\ensuremath{\Phi}}_{\mathrm{m}}}{{({\ensuremath{\Phi}}_{\mathrm{m}}, {F}^{2}{\ensuremath{\Phi}}_{\mathrm{m}})}^{\frac{1}{2}}}$.
F is taken as a product of two-body factors, $\ensuremath{\Pi}{i<j}^{}[f({r}_{\mathrm{ij}})]$, the
f(rij) embodying at least the correlations arising from strong short-range repulsions; and ${{\ensuremath{\Phi}}_{\mathrm{m}}}$, a set of independent-particle-model functions which might serve as a basis in the absence of highly singular interactions. The matrix elements
Hmn,
Nmn of the Hamiltonian and identity operators with respect to the correlated basis ${{\ensuremath{\Psi}}_{\mathrm{m}}}$ are evaluated by generalization of cluster-expansion techniques developed originally for the calculation of the partition function of a classical imperfect gas and adapted to the quantum-mechanical many-body problem by Iwamoto and Yamada. Contributions to our expansions for the
Hmn are classified according to order of magnitude in the quantity $\ensuremath{\rho}\ensuremath{\omega}$, where $\ensuremath{\omega}=\ensuremath{\int}({f}^{2}(r)\ensuremath{-}1)d\mathrm{r}$ is a "correlation parameter" and $\ensuremath{\rho}$ the average particle density. To the extent that $|\ensuremath{\rho}\ensuremath{\omega}|$ is small, it provides a true expansion parameter. A detailed technical discussion of the cluster expansions is given, with special emphasis on their symmetry properties upon truncation. Although the many-body problem is soluble by simultaneous diagonalization of the matrices (
Hmn) and (
Nmn), it is preferable first to transform to an orthonormal basis of "unperturbed" correlated functions ${{\ensuremath{\Theta}}_{\mathrm{m}}}$ with respect to which the Hamiltonian and identity operators have the matrix representations (
Hmn) and $({N}_{\mathrm{mn}})=({\ensuremath{\delta}}_{\mathrm{mn}})$, and then to attempt the separate diagonalization of (
Hmn). In general, such a transformation is expedited by the L\"owdin procedure carried out to the desired order in $\ensuremath{\rho}\ensuremath{\omega}$. However, a Schmidt orthogonalization scheme might prove more advantageous in specific cases. Field-theoretic techniques (of both perturbative and nonperturbative nature) may be brought to bear in the diagonalization of (
Hmn). The inverse of the unitary transformation which takes the basis ${{\ensuremath{\Phi}}_{\mathrm{m}}}$ into the basis ${{\ensuremath{\Theta}}_{\mathrm{m}}}$, applied to the given singular Hamiltonian, leads---for any
F in the class considered---to a non-singular "effective Hamiltonian." Following this formal cue, we set out to construct explicitly a second-quantized effective Hamiltonian which generates the same matrix elements, to prescribed order in $\ensuremath{\rho}\ensuremath{\omega}$, when operating between independent-particle kets of the model occupation-number representation, as does the given Hamiltonian in the configuration-space representation, between the corresponding correlated functions of the L\"owdin basis. The quasiparticles described by this effective Hamiltonian interact via well-behaved two-body, three-body, \ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{},
Q-body, \ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{} potentials, in contrast to the highly singular two-body interactions of the real particles. For small $|\ensuremath{\rho}\ensuremath{\omega}|$, the effective two-body forces predominate. An avenue to deeper understanding of the applicability of the nuclear-shell model and the dressed-quasiparticle theory of liquid
He3 has been opened. This article treats only the formalism for a uniform extended medium. Numerical calculations, as well as the extension of the method to finite systems, will follow.
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.
This paper constructs a general method for obtaining series expansions of the logarithm of the configuration function
F. For an
N-body quantum system with Hamiltonian
H and inverse temperature $\ensuremath{\beta}$, the configuration function is the ratio of the exact to the free coordinate-space heat kernels: $F=\frac{〈\stackrel{\ensuremath{\rightarrow}}{\mathrm{x}}|{e}^{\ensuremath{-}\ensuremath{\beta}H}|{\stackrel{\ensuremath{\rightarrow}}{\mathrm{x}}}^{\ensuremath{'}}〉}{〈\stackrel{\ensuremath{\rightarrow}}{\mathrm{x}}|{e}^{\ensuremath{-}\ensuremath{\beta}{H}_{0}}|{\stackrel{\ensuremath{\rightarrow}}{\mathrm{x}}}^{\ensuremath{'}}〉}$. Expansion of
lnF in Planck's constant
h leads to the semiclassical expansion of Wigner and Kirkwood, whereas the series in the variable $\ensuremath{\beta}$ provides the high-temperature expansion. By the introduction of an appropriate linked-graph method, it is shown how to obtain explicit formulas for the coefficient functions that enter either of these two series. Further, it is established that the same results can be derived by using the Feynman-Kac path-integral description of the partition function.
A general system composed of many weakly interacting bosons and/or fermions is considered. The object is to develop a procedure for renormalizing the single-particle creation operators, so as to remove the interactions to successively higher orders of perturbation. The basic idea is that creation operators ${{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$ must satisfy the Hamiltonian commutator equations $[\mathcal{H},{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}]={\ensuremath{\omega}}_{i}{{\ensuremath{\theta}}_{i}}^{\ifmmode\dagger\else\textdagger\fi{}}$, where
H is the Hamiltonian and ${\ensuremath{\omega}}_{i}$ are the particle energies. For the many-weakly-interacting-particle system, the zeroth-order boson and fermion creation operators satisfy these equations to zeroth order. It is shown that if the creation operators are renormalized so as to satisfy the Hamiltonian commutator equations to order
m, and also to satisfy the appropriate boson commutators and fermion anticommutators to order
m, then the problem is solved to order
m. In particular, the vectors formed by operating on the ground state with the renormalized creation operators, according to the usual boson and fermion occupation-number representation, are eigenvectors of
H and are orthonormal, all to order
m. A procedure is otained for finding the (
m+1)-order contributions to the particle creation energies, in terms of the
m-order operators. Explicit first-order calculations of these general results are provided for a system of bosons and a system of fermions, and these first-order results are shown to include similar results of Rayleigh-Schr\"odinger perturbation theory, the random-phase approximation, and the method of thermodynamic Green's functions. The problem of anharmonic lattice dynamics is studied in detail, and a method of undetermined coefficients is used to renormalize the phonon creation operators to first order. The phonon energies are calculated to second order, and this calculation shows that the interactions between renormalized phonons cannot be removed in second order. Statistical averages of the phonon energies give the energy shifts and lifetimes which have been calculated previously by various propagator techniques. In addition, the renormalized energies are used to calculate the temperature-dependent part of the Helmholtz free energy correct to second order. As a final example, electron-phonon interactions in a normal metal are studied. The electron and phonon creation operators are renormalized to first order, the particle energies are calculated to second order, and statistical averages of the particle energies recover the usual thermodynamic Green's-function results for energy shifts and lifetimes. These examples show the simplicity by which the renormalization procedure obtains a great amount of detailed information about the single-particle nature of a many-particle system.