Related papers: Coupled Cluster Externally Corrected by Adaptive C…
Convex clustering is a convex relaxation of the $k$-means and hierarchical clustering. It involves solving a convex optimization problem with the objective function being a squared error loss plus a fusion penalty that encourages the…
We formulate a parity-mixed coupled-cluster (PM-CC) approach for high-precision calculations of parity non-conserving amplitudes in mono-valent atoms. Compared to the conventional formalism which uses parity-proper (PP) one-electron…
Chromatic Correlation Clustering (CCC) generalizes Correlation Clustering by assigning multiple categorical relationships (colors) to edges and imposing chromatic constraints on the clusters. Unlike traditional Correlation Clustering, which…
A method is suggested to build simple multiconfigurational wave functions specified uniquely by an energy cutoff $\Lambda$. These are constructed from a model space containing determinants with energy relative to that of the most stable…
The multi-reference Coupled Cluster method first proposed by Meller et al (J. Chem. Phys. 1996) has been implemented and tested. Guess values of the amplitudes of the single and double excitations (the ${\hat T}$ operator) on the top of the…
Performing analytic of household load curves (LCs) has significant value in predicting individual electricity consumption patterns, and hence facilitate developing demand-response strategy, and finally achieve energy efficiency improvement…
We explore a general framework how to treat coupled-channel systems in the presence of overlapping left and right-hand cuts as well as anomalous thresholds. Such systems are studied in terms of a generalized potential, where we exploit the…
Deriving value from a conversational AI system depends on the capacity of a user to translate the prior knowledge into a configuration. In most cases, discovering the set of relevant turn-level speaker intents is often one of the key steps.…
In this paper, we report on a correctly scaling novel coupled cluster singles and doubles (CCSD) implementation for arbitrary high-spin open-shell states. The chosen cluster operator is completely spin-free, i.e. employs spatial…
Stepped-wedge cluster randomised trials (SW-CRTs) increasingly evaluate complex interventions, yet methodological guidance for analysing composite endpoints using generalized pairwise comparisons (GPC)remains limited. This work investigates…
We introduce single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature,…
Interference coordination improves data rates and reduces outages in cellular networks. Accurately evaluating the gains of coordination, however, is contingent upon using a network topology that models realistic cellular deployments. In…
Federated clustering, an essential extension of centralized clustering for federated scenarios, enables multiple data-holding clients to collaboratively group data while keeping their data locally. In centralized scenarios, clustering…
We present a new implementation of DMRG-based tailored coupled clusters method (TCCSD), which employs the domain-based local pair natural orbital approach (DLPNO-TCCSD). Compared to the previous LPNO version of the method, the new…
We propose a general transfer learning framework for clustering given a main dataset and an auxiliary one about the same subjects. The two datasets may reflect similar but different latent grouping structures of the subjects. We propose an…
We apply the coupled cluster method (CCM) in order to study the ground-state properties of the (unfrustrated) square-lattice and (frustrated) triangular-lattice spin-half Heisenberg antiferromagnets in the presence of external magnetic…
We have performed systematic large-scale all-electron correlated calculations on boron clusters B$_{n}$(n=2--5), to study their linear optical absorption spectra. Several possible isomers of each cluster were considered, and their…
Dimensionality reduction (DR) techniques are often characterized by whether they preserve global, high-level structures in the data or local, neighborhood structures. This distinction matters in visualization: global methods can obscure…
Localized orbital coupled cluster theory has recently emerged as an nonempirical alternative to DFT for large systems. Intuitively, one might expect such methods to perform less well for highly delocalized systems. In the present work, we…
We present the formulation and implementation of the Integral-Screened Configuration-Interaction method (ISCI). The ISCI is a minimal-operational count integral-driven direct Configuration-Interaction (CI) method with a simple and rigorous…