Four point correlation functions for many electrons at finite temperature in periodic lattice of dimension d (≥1) are analyzed by the perturbation theory with respect to the coupling constant. The correlation functions are characterized as a limit of finite dimensional Grassmann integrals. A lower bound on the radius of convergence and an upper bound on the perturbation series are obtained by evaluating the Taylor expansion of logarithm of the finite dimensional Grassmann Gaussian integrals. The perturbation series up to second-order is numerically implemented along with the volume-independent upper bounds on the sum of the higher order terms in the 2-dimensional case.
For a class of tight-binding many-electron models on hypercubic lattices, the equal-time correlation functions at nonzero temperature are proved to decay exponentially in the distance between the center of positions of the electrons and the center of positions of the holes. The decay bounds hold in any space dimension in the thermodynamic limit if the interaction is sufficiently small depending on temperature. The proof is based on the U(1)-invariance property and volume-independent perturbative bounds of the finite dimensional Grassmann integrals formulating the correlation functions.
A perturbation theory is developed for the correlation energy
Ec[n], of a finite-density system, with respect to the coupling constant \ensuremath{\alpha} which multiplies the electron-electron repulsion operator in ${\mathit{H}}^{\mathrm{\ensuremath{\alpha}}}$=T^+\ensuremath{\alpha}V${\mathrm{^}}_{\mathit{e}\mathit{e}}$+
tsumi${\mathit{v}}_{\mathrm{\ensuremath{\alpha}}}$(
ri). The external potential ${\mathit{v}}_{\mathrm{\ensuremath{\alpha}}}$ is constrained to keep the gound-state density n fixed for all \ensuremath{\alpha}\ensuremath{\ge}0. ${\mathit{v}}_{\mathrm{\ensuremath{\alpha}}}$ is given completely in terms of functional derivatives at full charge (\ensuremath{\alpha}=1), from which
Ec[${\mathit{n}}_{\ensuremath{\lambda}}$]=
ec,2[n]+ ${\ensuremath{\lambda}}^{\mathrm{\ensuremath{-}}1}$
ec,3[n]+${\ensuremath{\lambda}}^{\mathrm{\ensuremath{-}}2}$
ec,4[n]+..., where each
ec,j[n] is expressed in terms of integrals involving Kohn-Sham determinants. Here, ${\mathit{n}}_{\ensuremath{\lambda}}$(x,y,x)=${\ensuremath{\lambda}}^{3}$n(\ensuremath{\lambda}x,\ensuremath{\lambda}y,\ensuremath{\lambda}z) and \ensuremath{\lambda}=${\mathrm{\ensuremath{\alpha}}}^{\mathrm{\ensuremath{-}}1}$. The identification of ${\mathrm{lim}}_{\ensuremath{\lambda}\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}$
Ec[${\mathit{n}}_{\ensuremath{\lambda}}$], which is a high-density limit, as the second-order energy
ec,2[n] allows one to compute bounds upon ${\mathrm{lim}}_{\ensuremath{\lambda}\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}$
Ec[${\mathit{n}}_{\ensuremath{\lambda}}$]; the bounds imply that ${\mathrm{lim}}_{\ensuremath{\lambda}\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}$
Ec[${\mathit{n}}_{\ensuremath{\lambda}}$]\ensuremath{\simeq}
Ec[n] for a large class of small atoms and molecules, and suggest that ${\mathrm{lim}}_{\ensuremath{\lambda}\ensuremath{\rightarrow}\mathrm{\ensuremath{\infty}}}$
Ec[${\mathit{n}}_{\ensuremath{\lambda}}$] should be of the same order of magnitude as
Ec[n] in finite insulators and semiconductors.Approximations to
Ec[n] should reflect all this. In contrast, perhaps the well-known overbinding of the local-density approximation (LDA) in molecules and solids is due, in part, to the fact that the LDA correlation energy is too sensitive to a coordinate scaling of n. Indeed, the LDA for
Ec[${\mathit{n}}_{\ensuremath{\lambda}}$] diverges when \ensuremath{\lambda}\ensuremath{\rightarrow}\ensuremath{\infty} because of the presence of the -ln(\ensuremath{\lambda}) term in the Gell-Mann and Brueckner high-density expression for the correlation energy, per particle, of a homogeneous density, which is infinite. In a sense, the derived perturbation expansion transforms the Gell-Mann and Brueckner expression into one that applies specifically to an inhomogeneous density which integrates to a finite number of electrons.
Renormalization group analysis for multi-band many-electron systems at half-filling at positive temperature is presented. The analysis includes the Matsubara ultra-violet integration and the infrared integration around the zero set of the dispersion relation. The multi-scale integration schemes are implemented in a finite-dimensional Grassmann algebra indexed by discrete position-time variables. In order that the multi-scale integrations are justified inductively, various scale-dependent estimates on Grassmann polynomials are established. We apply these theories in practice to prove that for the half-filled Hubbard model with nearest-neighbor hopping on a square lattice the infinite-volume, zero-temperature limit of the free energy density exists as an analytic function of the coupling constant in a neighborhood of the origin if the system contains the magnetic flux pi (mod 2 pi) per plaquette and 0 (mod 2 pi) through the large circles around the periodic lattice. Combined with Lieb's result on the flux phase problem ([Lieb, E. H., Phys. Rev. Lett. 73 (1994), 2158]), this theorem implies that the minimum free energy density of the flux phase problem converges to an analytic function of the coupling constant in the infinite-volume, zero-temperature limit. The proof of the theorem is based on a four-band formulation of the model Hamiltonian and an extension of Giuliani-Mastropietro's renormalization designed for the half-filled Hubbard model on the honeycomb lattice ([Giuliani, A. and V. Mastropietro, Commun. Math. Phys. 293 (2010), 301-346]).
We investigate the Hubbard model on a two-dimensional square lattice by the perturbation expansion to the fourth order in the on-site Coulomb repulsion U. Numerically calculating all diagrams up to the fourth order in self-energy, we examine the convergence of perturbation series in the lattice system. We indicate that the coefficient of each order term rapidly decreases as in the impurity Anderson model for T > 0.1t in the half-filled case, but it holds in the doped case even at lower temperatures. Thus, we can expect that the convergence of perturbation expansion in U is very good in a wide parameter region also in the lattice system, except for T < 0.1t in the half-filled case. We next calculate the density of states in the fourth-order perturbation. In the half-filled case, the shape in a moderate correlation regime is quite different from the three peak structure in the second-order perturbation. Remarkable upper and lower Hubbard bands locate at w = +(-)U/2, and a pseudogap appears at the Fermi level w=0. This is considered as the precursor of the Mott-Hubbard antiferromagnetic structure. In the doped case, quasiparticles with very heavy mass are formed at the Fermi level. Thus, we conclude that the fourth-order perturbation theory overall well explain the asymptotic behaviors in a strong correlation regime.
A comprehensive and detailed account is presented for the finite-temperature many-body perturbation theory for electrons that expands in power series all thermodynamic functions on an equal footing. Algebraic recursions in the style of the Rayleigh-Schrödinger perturbation theory are derived for the grand potential, chemical potential, internal energy, and entropy in the grand canonical ensemble and for the Helmholtz energy, internal energy, and entropy in the canonical ensemble, leading to their sum-over-states analytical formulas at any arbitrary order. For the grand canonical ensemble, these sum-over-states formulas are systematically transformed to sum-over-orbitals reduced analytical formulas by the quantum-field-theoretical techniques of normal-ordered second quantization and Feynman diagrams extended to finite temperature. It is found that the perturbation corrections to energies entering the recursions have to be treated as a nondiagonal matrix, whose off-diagonal elements are generally nonzero within a subspace spanned by degenerate Slater determinants. They give rise to a unique set of linked diagrams-renormalization diagrams-whose resolvent lines are displaced upward, which are distinct from the well-known anomalous diagrams of which one or more resolvent lines are erased. A linked-diagram theorem is introduced that proves the size-consistency of the finite-temperature many-body perturbation theory at any order. General-order algorithms implementing the recursions establish the convergence of the perturbation series toward the finite-temperature full-configuration-interaction limit unless the series diverges. The normal-ordered Hamiltonian at finite temperature sheds light on the relationship between the finite-temperature Hartree-Fock and first-order many-body perturbation theories.