Related papers: Configuration weights in coupled-cluster theory
Two natural and widely used representations for the community structure of networks are clusterings, which partition the vertex set into disjoint subsets, and layouts, which assign the vertices to positions in a metric space. This paper…
We establish necessary and sufficient conditions for the boundedness and compactness of weighted composition operators acting on weighted Dirichlet spaces and determine the spectrum of a certain class of such operators. Our results extend…
Coupled cluster theory is one of the most accurate electronic structure methods for predicting ground and excited state chemistry. However, the presence of numerical artifacts at electronic degeneracies, such as complex energies, has made…
In multi-task learning several related tasks are considered simultaneously, with the hope that by an appropriate sharing of information across tasks, each task may benefit from the others. In the context of learning linear functions for…
In contrast to problems of interference in (exogenous) treatments, models of interference in unit-specific (endogenous) outcomes do not usually produce a reduced-form representation where outcomes depend on other units' treatment status…
The chemistry community has long sought the exact relationship between the conventional and the unitary coupled cluster ansatz for a single-reference system, especially given the interest in performing quantum chemistry on quantum…
In this work we propose a novel composite method for accurate calculation of the energies of many-electron atoms. The dominant contribution to the energy (pair energies) are calculated by using explicitly correlated factorisable coupled…
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…
We systematically extend the statement that the configurational entropy provides an alternative approach to studying gravitational stability of compact objects, carried out in the previous work of M. Gleiser and N. Jiang, Phys. Rev. D {\bf…
Drude weight ($D$) is a useful measure to distinguish a metal from an insulator. However, $D$ has not been justifiably estimated by the variation theory for long, since Millis and Coppersmith [Phys. Rev. B 43 (1991) 13770] pointed out that…
We present a novel approach to spin-adapted coupled cluster theory. This approach is based on the entanglement of an open-shell molecule with electrons in a non-interacting bath; together they form a closed-shell state. For the total…
Network data often represent multiple types of relations, which can also denote exchanged quantities, and are typically encompassed in a weighted multiplex. Such data frequently exhibit clustering structures, however, traditional clustering…
Accurate solution of the many-electron problem including correlations remains intractable except for few-electron systems. Describing interacting electrons as a superposition of independent electron configurations results in an apparent…
We introduce a weighted propositional configuration logic over a product valuation monoid. Our logic is intended to serve as a specification language for software architectures with quantitative features such as the average of all…
We develop a linked cluster method to calculate the spectral weights of many-particle excitations at zero temperature. The dynamical structure factor is expressed as a sum of exclusive structure factors, each representing contributions from…
Let $\mathcal{A}$ be a cluster algebra of finite cluster type. We study the Gr\"obner cone $\mathcal{C}_{\mathcal{A}}$ parametrizing term orders inducing an initial degeneration of the ideal $I_{\mathcal{A}}$ of relations among the cluster…
We propose a new formulation of time-dependent coupled cluster with adaptive basis functions and division of the one-particle space into active and secondary subspaces. The formalism is fully bivariational in the sense of a real-valued…
The Gaussian cluster-weighted model (CWM) is a mixture of regression models with random covariates that allows for flexible clustering of a random vector composed of response variables and covariates. In each mixture component, it adopts a…
We develop a coupled-cluster theory for bosonic mixtures of binary species in external traps, providing a promising theoretical approach to demonstrate highly accurately the many-body physics of mixtures of Bose-Einstein condensates. The…
We consider a new formulation of the stochastic coupled cluster method in terms of the similarity transformed Hamiltonian. We show that improvement in the granularity with which the wavefunction is represented results in a reduction in the…