Related papers: Coupled-cluster pairing models for radicals with s…
The broken pair model has been developed earlier as an useful approximation to the nuclear shell model for even-even nuclei. It is extended and developed here to include odd nuclei too. The model is then applied successfully in the Zr…
We study the application of various forms of the coupled cluster method to systems with paired fermions. The novel element of the analysis is the study of the breaking and eventual restoration of particle number in the CCM variants. We…
Rational approximations of functions with singularities can converge at a root-exponential rate if the poles are exponentially clustered. We begin by reviewing this effect in minimax, least-squares, and AAA approximations on intervals and…
Recently developed pair coupled cluster doubles (pCCD) theory successfully reproduces doubly occupied configuration interaction (DOCI) with mean field cost. However, the projective nature of pCCD makes the method non-variational and thus…
Coupled cluster theory produced arguably the most widely used high-accuracy computational quantum chemistry methods. Despite the approach's overall great computational success, its mathematical understanding is so far limited to results…
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…
Correlation Clustering is a classic clustering objective arising in numerous machine learning and data mining applications. Given a graph $G=(V,E)$, the goal is to partition the vertex set into clusters so as to minimize the number of edges…
Model Hamiltonians offer a cost-effective way to capture the key physics of large $\pi$-conjugated systems. In this work, we combine the Pariser--Parr--Pople (PPP) model Hamiltonian with pair Coupled Cluster Doubles (pCCD)-based methods to…
Let $(G,N)$ be a pair of groups. In this article, first we construct a relative central extension for the pair $(G,N)$ such that special types of covering pair of $(G,N)$ are homomorphic image of it. Second, we show that every perfect pair…
We provide an elegant way of solving analytically the third post-Newtonian (3PN) accurate Kepler equation, associated with the 3PN-accurate generalized quasi-Keplerian parametrization for compact binaries in eccentric orbits. An additional…
The factorization and resummation approach of Nagar and Shah~[Phys.~Rev.~D~94 (2016), 104017], designed to improve the strong-field behavior of the post-Newtonian (PN) residual waveform amplitudes $f_{\ell m}$'s entering the…
We study the approximate range searching for three variants of the clustering problem with a set $P$ of $n$ points in $d$-dimensional Euclidean space and axis-parallel rectangular range queries: the $k$-median, $k$-means, and $k$-center…
Exact thermal studies of small (4-site, 5-site and 8-site) Hubbard clusters with local electron repulsion yield intriguing insight into phase separation, charge-spin separation, pseudogaps, condensation, in particular, pairing fluctuations…
In the paper the thermodynamics of a cubic cluster with 8 sites at quarter filling is characterized by means of exact diagonalization technique. Particular emphasis is put on the behaviour of such response functions as specific heat and…
Let $G$ be a connected real reductive group with maximal compact subgroup $K$ of equal rank, and let $\mathscr M$ be the category of Harish-Chandra modules for $G$. We relate three differentely defined pairings between two finite length…
We describe a coupled cluster framework for coupled systems of electrons and phonons. Neutral and charged excitations are accessed via the equation-of-motion version of the theory. Benchmarks on the Hubbard-Holstein model allow us to assess…
A model is constructed in which pair potentials are combined with the cluster expansion method in order to better describe the energetics of structurally relaxed substitutional alloys. The effect of structural relaxations away from the…
We present the most precise estimate to date of the clustering of quasars on very small scales, based on a sample of 47 binary quasars with magnitudes of $g<20.85$ and proper transverse separations of $\sim 25\,h^{-1}$\,kpc. Our sample of…
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…
Quantum embedding methods have recently developed significantly to model large molecular structures. This work proposes a novel wave function theory in density functional theory (WTF-in-DFT) embedding scheme based on pair-coupled cluster…