相关论文: Single-reference coupled-cluster theory based on t…

One-way quantum computation, also known as Cluster State Quantum Computation, provides a robust and efficient tool to perform universal quantum computation using only single-qubit projective measurements, given a highly entangled cluster…

Coupled cluster calculations are traditionally performed over Hartree-Fock reference orbitals (HF-CC methodology). However, it has been repeatedly argued in the literature that the use of a Kohn-Sham reference (KS-CC methodology) might…

The one-way quantum computing model introduced by Raussendorf and Briegel [Phys. Rev. Lett. 86 (22), 5188-5191 (2001)] shows that it is possible to quantum compute using only a fixed entangled resource known as a cluster state, and adaptive…

This paper presents Constrained Centroid Clustering (CCC), a method that extends classical centroid-based clustering by enforcing a constraint on the maximum distance between the cluster center and the farthest point in the cluster. Using a…

Inspired by our earlier semi-stochastic work aimed at converging high-level coupled-cluster (CC) energetics [J. E. Deustua, J. Shen, and P. Piecuch, Phys. Rev. Lett. 119, 223003 (2017); J. Chem. Phys. 154, 124103 (2021)], we propose a novel…

A wide class of coupled-cluster methods is introduced, based on Arponen's extended coupled-cluster theory. This class of methods is formulated in terms of a coordinate transformation of the cluster operators. The mathematical framework for…

It is argued that cluster methods provide a viable alternative to Wilson's momentum shell integration technique at the early stage of renormalization in the field-theoretic models with strongly coupled fields because these methods allow for…

Low rank representation (LRR) has recently attracted great interest due to its pleasing efficacy in exploring low-dimensional sub- space structures embedded in data. One of its successful applications is subspace clustering, by which data…

By using the overcompleteness of coherent states we find an alternative form of the unit operator for which the ket and the bra appearing under the integration sign do not refer to the same phase-space point. This defines a new quantum…

Hybrid machine learning based on Hamiltonian formulations has recently been successfully demonstrated for simple mechanical systems, both energy conserving and not energy conserving. We introduce a pseudo-Hamiltonian formulation that is a…

We extend our assessment of the potential of perturbative coupled cluster (CC) expansions for a test set of open-shell atoms and organic radicals to the description of quadruple excitations. Namely, the second- through sixth-order models of…

Cluster analysis requires many decisions: the clustering method and the implied reference model, the number of clusters and, often, several hyper-parameters and algorithms' tunings. In practice, one produces several partitions, and a final…

We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory with a quantum-selected configuration interaction (QSCI) wave…

Dimensionality reduction, cluster analysis, and sparse representation are basic components in machine learning. However, their relationships have not yet been fully investigated. In this paper, we find that the spectral graph theory…

An efficient approach to calculate approximate pure-state and transition reduced density matrices in the framework of the multireference relativistic Fock-space coupled cluster (FS CC) theory is proposed. The method is based on the…

We reexamine $\Delta$CCSD, a state-specific coupled-cluster (CC) with single and double excitations (CCSD) approach that targets excited states through the utilization of non-Aufbau determinants. This methodology is particularly efficient…

We present a novel and cost-effective approach of using a second similarity transformation of the Hamiltonian to include the missing higher-order terms in the second-order approximate coupled cluster singles and doubles (CC2) model. The…

Hamiltonian of a system in quantum field theory can give rise to infinitely many partition functions which correspond to infinitely many inequivalent representations of the canonical commutator or anticommutator rings of field operators.…

Computational power in measurement-based quantum computing stems from the symmetry-protected topological (SPT) order of entangled resource states. However, resource states are prone to preparation errors. We introduce a quantum error…

We propose an active-space approximation to reduce the quantum resources required for variational quantum eigensolver (VQE). Starting from the double exponential unitary coupled-cluster ansatz and employing the downfolding technique, we…