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Register a new userMany-body perturbation theory and non-perturbative approaches: the screened interaction as key ingredient
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Many-body perturbation theory is often formulated in terms of an expansion in the dressed instead of the bare Greens function, and in the screened instead of the bare Coulomb interaction. However, screening can be calculated on different levels of approximation, and it is important to define what is the most appropriate choice. We explore this question by studying a zero-dimensional model (so called one-point model) that retains the structure of the full equations. We study both linear and non-linear response approximations to the screening. We find that an expansion in terms of the screening in the random phase approximation is the most promising way for an application in real systems. Moreover, by making use of the nonperturbative features of the Kadanoff-Baym equation for the one-body Greens function, we obtain an approximate solution in our model that is very promising, although its applicability to real systems has still to be explored.
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In the standard framework of self-consistent many-body perturbation theory, the skeleton series for the self-energy is truncated at a finite order $N$ and plugged into the Dyson equation, which is then solved for the propagator $G_N$. For two simple examples of fermionic models -- the Hubbard atom at half filling and its zero space-time dimensional simplified version -- we find that $G_N$ converges when $Ntoinfty$ to a limit $G_infty,$, which coincides with the exact physical propagator $G_{rm exact} ,$ at small enough coupling, while $G_infty eq G_{rm exact} ,$ at strong coupling. We also demonstrate that it is possible to discriminate between these two regimes thanks to a criterion which does not require the knowledge of $G_{rm exact} ,$, as proposed in [Rossi et al., PRB 93, 161102(R) (2016)].
A major pathway towards understanding complex systems is given by exactly solvable reference systems that contain the essential physics of the system. For the $t-t-U$ Hubbard model, the four-site plaquette is known to have a quantum critical point in the $U-mu$ space where states with electron occupations $N=2, 3, 4$ per plaquette are degenerate [Phys. Rev. B {bf 94}, 125133 (2016)]. We show that such a critical point in the lattice causes an instability in the particle-particle singlet d-wave channel and manifests some of the essential elements of the cuprate superconductivity. For this purpose we design an efficient superperturbation theory -- based on the dual fermion approach -- with the critical plaquette as the reference system. Thus, the perturbation theory already contains the relevant d-wave fluctuations from the beginning via the two-particle correlations of the plaquette. We find that d-wave superconductivity remains a leading instability channel under reasonably broad range of parameters. The next-nearest-neighbour hopping $t$ is shown to play a crucial role in a formation of strongly bound electronic bipolarons whose coherence at lower temperature results in superconductivity. The physics of the pseudogap within the developed picture is also discussed.
The combination of configuration interaction and many-body perturbation theory methods (CI+MBPT) is extended to non-perturbatively include configurations with electron holes below the designated Fermi level, allowing us to treat systems where holes play an important role. For example, the method can treat valence-hole systems like Ir$^{17+}$, particle-hole excitations in noble gases, and difficult transitions such as the $6s rightarrow 5d^{-1}6s^2$ optical clock transition in Hg$^+$. We take the latter system as our test case for the method and obtain very good accuracy (~1%) for the low-lying transition energies. The $alpha$-dependence of these transitions is calculated and used to reinterpret the existing best laboratory limits on the time-dependence of the fine-structure constant.
The bandstructure of gold is calculated using many-body perturbation theory (MBPT). Different approximations within the GW approach are considered. Standard single shot G0W0 corrections shift the unoccupied bands up by ~0.2 eV and the first sp-like occupied band down by ~0.4 eV, while leaving unchanged the 5d occupied bands. Beyond G0W0, quasiparticle self-consistency on the wavefunctions lowers the occupied 5d bands by 0.35 eV. Globally, many-body effects achieve an opening of the interband gap (5d-6sp gap) of 0.35 to 0.75 eV approaching the experimental results. Finally, the quasiparticle bandstructure is compared to the one obtained by the widely used HSE (Heyd, Scuseria, and Ernzerhof) hybrid functional.
The carrier-density dependence of the photoemission spectrum of the Holstein many-polaron model is studied using cluster perturbation theory combined with an improved cluster diagonalization by Chebychev expansion.
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