Related papers: Finite-size effects in periodic coupled cluster ca…
Recent developments of high-order CCM have been to extend existing formalism and codes to $s \ge \frac 12$ for both the ground and excited states, and independently to "generalised" expectation values for a wide range of one- and two-body…
Periodic orbits in chaotic systems form clusters, whose elements traverse approximately the same points of the phase space. The distribution of cluster sizes depends on the length n of orbits and the parameter p which controls closeness of…
We discuss how the finiteness of the system created in a heavy-ion collision affects possible signatures of the QCD critical endpoint. We show sizable results for the modifications of the chiral phase diagram at volume scales typically…
In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles, doubles and approximate triples…
Linked cluster expansions are generalized from an infinite to a finite volume. They are performed to 20th order in the expansion parameter to approach the critical region from the symmetric phase. A new criterion is proposed to distinguish…
The influence of periodic boundary conditions (implicit finite-size effects) on the anisotropy of pair correlations in computer simulations is studied for a dense classical fluid of pair-wise interacting krypton atoms near the triple point.…
We calculate for the first time the finite size corrections in the massive Thirring model. This is done by numerically solving the equations of periodic boundary conditions of the Bethe ansatz solution. It is found that the corresponding…
The relaxed and unrelaxed formation energies of neutral antisites and interstitial defects in InP are calculated using ab initio density functional theory and simple cubic supercells of up to 512 atoms. The finite size errors in the…
While restricted single-reference coupled cluster theory truncated to singles and doubles (CCSD) provides very accurate results for weakly correlated systems, it usually fails in the presence of static or strong correlation. This failure is…
It is a common problem in lattice QCD calculation of the mass of the hadron with an annihilation channel that the signal falls off in time while the noise remains constant. In addition, the disconnected insertion calculation of the…
Phenomena that involve two or more on-shell particles are particularly sensitive to the effects of finite volume and require special treatment when computed using lattice QCD. In this paper we generalize the results of L\"uscher, and…
The potential of using cluster clustering for calibrating the mass-observable relation of galaxy clusters has been recognized theoretically for over a decade. Here, we demonstrate the feasibility of this technique to achieve high precision…
The curse of dimensionality (COD) limits the current state-of-the-art {\it ab initio} propagation methods for non-relativistic quantum mechanics to relatively few particles. For stationary structure calculations, the coupled-cluster (CC)…
The scaling of the number of Rydberg excitations in a laser-driven cloud of atoms with the interaction strength is found to be affected by the finite size of the system. The scaling predicted by a theoretical model is compared with results…
The search for the QCD critical end point (CEP) is a major objective of contemporary heavy-ion physics, motivating the study of fluctuation observables that are sensitive to critical dynamics. In particular, baryon-number fluctuations…
The small magnitude and long-range character of non-covalent interactions pose a significant challenge for computational quantum chemical and electronic-structure methods alike. State-of-the-art coupled cluster (CC) theory and…
Point defects play a key role in determining semiconductor properties, such as electrical conductivity and photoluminescence, and often enable functional behavior. Accurate first-principles supercell simulations of point defects require…
Finite size effects in Euclidean ${\rm CP}^{N-1}$ models with periodic boundary conditions are investigated by means of the $1/N$ expansion and by Monte Carlo simulations. Analytic and numerical results for magnetic susceptibility and…
We reveal limitations of several standard coupled-cluster (CC) methods with perturbation-theorybased noniterative or approximate iterative treatments of triple excitations when applied to thedetermination of highly accurate potential energy…
Using continuum extrapolated lattice data we trace a family of running couplings in three-flavour QCD over a large range of scales from about 4 to 128 GeV. The scale is set by the finite space time volume so that recursive finite size…