Related papers: Potential energy surfaces from many-body functiona…
A simple, physically motivated, scaling hypothesis, which becomes exact in important limits, yields estimates for the ground-state energy of large, composed, systems in terms of the ground-state energy of its building blocks. The concept is…
Using a separable many-body variational wavefunction, we formulate a self-consistent effective Hamiltonian theory for fermionic many-body system. The theory is applied to the two-dimensional Hubbard model as an example to demonstrate its…
The minimum of the Gutzwiller energy functional depends on the number of parameters considered in the variational state. For a three-orbital Hubbard model we find that the frequently used diagonal Ansatz is very accurate in high-symmetry…
An expression is derived for angle-resolved photocurrent from a semi-infinite correlated system. Within the sudden approximation, the photocurrent is proportional to the spectral function of a one-particle two-time retarded Green's function…
We derive a generalized Luttinger-Ward expression for the Free energy of a many body system involving a constrained Hilbert space. In the large $N$ limit, we are able to explicity write the entropy as a functional of the Green's functions.…
Determining the low-energy eigenspectra of quantum many-body systems is a long-standing challenge in physics. In this work, we solve this problem by introducing two novel algorithms to determine low-energy eigenstates based on a compact…
We present a method to compute pairing fluctuations on top of the Gutzwiller approximation (GA). Our investigations are based on a charge-rotational invariant GA energy functional which is expanded up to second order in the pair…
In this study, we explore the precise physical quantities in the thermodynamic limit of the one-dimensional Hubbard model with nonparallel boundary magnetic fields based on the off-diagonal Bethe ansatz solution. A particular emphasis is…
We present a novel hybrid quantum/classical (QM/MM) approach to the calculation of charged excitations in molecular solids based on the many-body Green's function $GW$ formalism. Molecules described at the $GW$ level are embedded into the…
A modified $GW$ approximation to many - body systems is developed. The approximation has the same computational complexity as the traditional $GW$ approach, but uses a different truncation scheme. This scheme neglects high order connected…
Quasicrystals are long-range ordered, yet not periodic, and thereby present a fascinating challenge for condensed matter physics, as one cannot resort to the usual toolbox based on Bloch's theorem. Here, we present a numerical method for…
The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…
The many-body problem can in general not be solved exactly, and one of the most prominent approximations is to build perturbation expansions. A huge variety of expansions is possible, which differ by the quantity to be expanded, the…
We introduce a general scheme to consistently truncate equations of motion for Green's functions. Our scheme is guaranteed to generate physical Green's functions with real excitation energies and positive spectral weights. There are free…
We study the quantum self-organization of a few interacting particles with strong short-range interactions. The physical system is modeled via a 2D Hubbard square lattice model, with a nearest-neighbor interaction term of strength U and a…
Extending many-body numerical techniques which are powerful in the context of simple model calculations to the realm of realistic material simulations can be a challenging task. Realistic systems often involve multiple active orbitals,…
We prove that the two dimensional Hubbard model at finite temperature T and half-filling is analytic in the coupling constant in a radius at least $c/(\log T)^2$. We also study the self-energy through a new two-particle irreducible…
We calculate the one-electron spectral function of the attractive (negative-$U$) Hubbard model. We work in the intermediate coupling and low density regime and obtain the self-energy in an approximate analytical form. The excitation…
The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…
A computationally efficient Green's function approach is developed to evaluate the optical properties of nanostructures using a GW formalism applied on top of a tight-binding and mean-field Hubbard model. The use of the GW approximation…