Related papers: Robust analytic continuation approach to many-body…
Usual quantum mechanics predicts probabilities for the outcomes of measurements carried out at definite moments of time. However, realistic measurements do not take place in an instant, but are extended over a period of time. The assumption…
We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state…
The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy…
We expand on a recently introduced alternate framework for $GW$ simulation of charged excitations [Scott et. al., J. Chem. Phys., 158, 124102 (2023)], based around the conservation of directly computed spectral moments of the GW…
We report a method for the evaluation of the one-loop self-energy, to all orders in the external binding field, using a Gaussian basis set expansion. This choice of basis is motivated by its widespread use in molecular calculations. For a…
In this work we present the formal background used to develop the methods used in earlier works to extend the truncated Wigner representation of quantum and atom optics in order to address multi-time problems. The truncated Wigner…
Stochastic Analytic Continuation (SAC) of Quantum Monte Carlo (QMC) imaginary-time correlation function data is a valuable tool in connecting many-body models to experimentally measurable dynamic response functions. Recent developments of…
Recently, a method was presented for constructing self-energies within many-body perturbation theory that are guaranteed to produce a positive spectral function for equilibrium systems, by representing the self-energy as a product of…
An end-to-end strategy for hybrid quantum-classical computations of Green's functions in many-body systems is presented and applied to the pairing model. The scheme makes explicit use of the spectral representation of the Green's function,…
We present an approach for GW calculations of quasiparticle energies with quasi-quadratic scaling by approximating high-energy contributions to the Green's function in its Lehmann representation with effective stochastic vectors. The method…
We review recent developments in electronic structure calculations that go beyond state-of-the-art methods such as density functional theory (DFT) and dynamical mean field theory (DMFT). Specifically, we discuss the following methods: GW as…
Within the framework of the full potential projector-augmented wave methodology, we present a promising low-scaling $GW$ implementation. It allows for quasiparticle calculations with a scaling that is cubic in the system size and linear in…
In the limit of infinite spatial dimensions a thermodynamically consistent theory of the strongly correlated electron systems, which is valid for arbitrary value of the Coulombic interaction ($U<\infty$), is built. For the Hubbard model the…
Analytic QCD models are those versions of QCD in which the running coupling parameter a(Q^2) has the same analytic properties as the spacelike physical quantities, i.e., no singularities in the complex Q^2 plane except on the timelike…
The energy and the width of resonance states are determined by analytic continuation of bound-state energies as a function of the coupling constant (potential strength). The advantage of the method is that the existing techniques for…
Diagrammatic expansions are a central tool for treating correlated electron systems. At thermal equilibrium, they are most naturally defined within the Matsubara formalism. However, extracting any dynamic response function from a Matsubara…
The GW approximation is a cornerstone of many-body perturbation theory for computing single-particle excitations, yet it fundamentally breaks down in strongly correlated systems where the single-reference picture fails. To overcome this…
In this thesis, we focus on the energetic analysis within autonomous quantum systems. To this aim, we propose a novel and general formalism for a dynamic description of the energy exchanges between interacting subsystems. From the Schmidt…
Common G$_0$W$_0$ implementations rely on numerical or analytical frequency integration to determine the G$_0$W$_0$ self-energy, which results in a variety of practical complications. Recently, we demonstrated an exact connection between…
The grand potential of a system of interacting electrons is considered as a stationary point of a self-energy functional. It is shown that a rigorous evaluation of the functional is possible for self-energies that are representable within a…