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A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuations of fragments between internally correlated states. The effects of intra-fragment correlation on the inter-fragment interaction are…

This manuscript introduces a passivity-based control methodology for fully-actuated mechanical systems with symmetric or asymmetric dead-zones. To this end, we find a smooth approximation of the inverse of the function that describes such a…

We investigate the basis-set convergence of electronic correlation energies calculated using coupled cluster theory and a recently proposed finite basis-set correction technique. The correction is applied to atomic and molecular systems and…

The pair contact process (PCP) is a nonequilibrium stochastic model which, like the basic contact process (CP), exhibits a phase transition to an absorbing state. The two models belong to the directed percolation (DP) universality class,…

We apply the functional renormalization group method to the calculation of dynamical properties of zero-dimensional interacting quantum systems. As case studies we discuss the anharmonic oscillator and the single impurity Anderson model. We…

We describe experimentally observed collective dynamics in colloidal suspensions of model hard-sphere particles using a modified mode coupling theory (MCT). This rescaled MCT is capable to describe quantitatively the wave-vector and…

We devise a nonlocal correlation energy functional that describes the entire range of dispersion interactions in a seamless fashion using only the electron density as input. The new functional is considerably simpler than its predecessors…

Impurities coupled to superconductors offer a controlled platform to understand the interplay between superconductivity, many-body interactions, and non-equilibrium physics. In the equilibrium situation, local interactions at the impurity…

Long-range corrected (LC) hybrid functionals and asymptotically corrected (AC) model potentials are two distinct density functional methods with correct asymptotic behavior. They are known to be accurate for properties that are sensitive to…

A relativistic version of the coupled-cluster single-double (CCSD) method is developed for atoms with a single valence electron. In earlier work, a linearized version of the CCSD method (with extensions to include a dominant class of triple…

In this paper we investigate the role of electron correlation in predicting the S$_1$-S$_0$ and T$_1$-S$_0$ excitation energies and hence, the singlet-triplet gap ($\Delta$E$_{ST}$) in a set of cyclazines which act as templates for…

Federated learning faces significant challenges in scenarios with heterogeneous data distributions and adverse network conditions, such as delays, packet loss, and data poisoning attacks. This paper proposes a novel method based on the…

We investigate the performance of Green's function coupled cluster singles and doubles (CCSD) method as a solver for Green's function embedding methods. To develop an efficient CC solver, we construct the one-particle Green's function from…

We present an exhaustive mathematical analysis of the recently proposed Non-Poissonian Ac- tivity Driven (NoPAD) model [Moinet et al. Phys. Rev. Lett., 114 (2015)], a temporal network model incorporating the empirically observed bursty…

Pair atomic density fitting (PADF) is a promising strategy to reduce the scaling with system size of quantum chemical methods for the calculation of the correlation energy like the direct random phase approximation (RPA) or second-order…

In quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schr\"odinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze the tailored…

A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of pairwise-additive potentials, as in the…

In two-dimensional random waves, phase singularities are point-like dislocations with a behavior reminiscent of interacting particles. This -- qualitative -- consideration, stems from the spatial arrangement of these entities, which finds…

Thermodynamic properties of charge-stabilised colloidal suspensions are commonly modeled by implementing the mean-field Poisson-Boltzmann (PB) theory within a cell model. This approach models a bulk system by a single macroion, together…

The electron self-interaction problem in density functional theory affects the accurate modeling of polarons, particularly their localization and formation energy. Charged and neutral density functional formulations have been developed to…