In order to go over from a perturbation expansion of the grand partition function (the unlinked-cluster expansion) to an expansion of the thermodynamic potential (the linked-cluster expansion) in powers of the interaction, it is necessary to treat carefully those terms in which creation (or annihilation) operators for the same state occur twice or more. The unlinked- and linked-cluster expansions for a system of fermions are here shown to be equivalent by a direct comparison of the terms which occur in each. The relation between the two expansions is illustrated by the example of a system of fermions interacting only with a single-particle potential.
Wick's theorem is combined with a cluster composition to derive a generalized statistical Wick's theorem for a non-equilibrium system with initial correlations. This enables a diagrammatic time-dependent perturbation theory which is a simple extension of the usual one to be developed for time-path causal statistical Green functions and their matrix equivalents. This provides a complete non-equilibrium theory. Reduction of diagrams and equations of motion for the Green functions are also discussed.
We present a compact and simplified proof of a generalized Wick theorem to calculate the Green's function of bosonic and fermionic systems in an arbitrary initial state. It is shown that the decomposition of the noninteracting
n-particle Green's function is equivalent to solving a boundary problem for the Martin-Schwinger hierarchy; for noncorrelated initial states, a one-line proof of the standard Wick theorem is given. Our result leads to new self-energy diagrams, and an elegant relation with those of the imaginary-time formalism is derived. The theorem is easy to use and can be combined with any ground-state numerical technique to calculate time-dependent properties.
A new approach to the diagrammatic formulation of many-body perturbation theory for open-shell systems is presented. The formalism is based on a generalized form of the Bloch equation that also generates the Rayleigh-Schrödinger perturbation expansion for a system with several open shells. Second quantization in the particle-hole formulation is used together with Wick's theorem in order to derive graphical rules in the usual way. The linked-diagram property of the wave operator and of the effective interaction is shown by expanding the wave operator in terms of normal products of connected diagram clusters, in analogy with the exp(S) formalism of Coester and Kümmel for closed-shell systems. Self-consistent “coupled-cluster” equations are derived for the open-shell case from the generalized Bloch equation by a straightforward extension of the procedure of Čížek and Paldus. The application of such equations for investigating different properties of open-shell atoms is discussed.
A new approach to the diagrammatic formulation of many-body perturbation theory for open-shell systems is presented. The formalism is based on a generalized form of the Bloch equation that also generates the Rayleigh--Schroedinger perturbation expansion for a system with several open shells. Second quantization in the particle-hole formulation is used together with Wick's theorem in order to derive graphical rules in the usual way. The linked-diagram property of the wave operator and of the effective interaction is shown by expanding the wave operator in terms of normal products of connected diagram clusters, in analogy with the exp(S) formalism of Coester and Kuemmel for closed-shell systems. Self-consistent coupled-cluster equations are derived for the open-shell case from the generalized Bloch equation by a straightforward extension of the procedure of Cizek and Paldus. The application of such equations for investigating different properties of open-shell atoms is discussed. 56 references.
The ground-state energy and low-energy excitations of single-particle character of an infinite medium of fermions are discussed with the aid of time-dependent Green's functions, which are convenient generalizations of the exact particle correlation functions in the ground state of
N particles. The power series development for the one- and two-particle functions, under the restriction to two-body forces, is derived and described by means of Feynman diagrams. The derivation of the linked-cluster expansion for the energy then follows immediately. The equivalence to previous versions is established. The one-particle function is examined in particular detail, and it is shown that the poles of its space-time Fourier transform studied as a function of the energy variable, for fixed momentum, determined the (
N+1)-particle and ($N\ensuremath{-}1$)-particle excited states which have single-particle character. For a reasonable assumption about the full spectrum of excited states, it is found that for the interacting system, single-particle excitations with a real energy occur only at the Fermi momentum. It is pointed out that the corresponding energy, termed the perturbed Fermi energy, equals the binding energy per particle in the ground state of
N particles for a saturating system at equilibrium density.It is shown, finally, that the entire structure of the theory may be carried over to the case of finite temperature, requiring only a redefinition of the Green's functions. The analogy is constructed from a discussion of the internal energy.