相关论文: Is Externally Corrected Coupled Cluster Always Bet…

A recent direction in quantum computing for molecular electronic structure sees the use of quantum devices as configuration sampling machines integrated within high-performance computing (HPC) platforms. This appeals to the strengths of…

The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of…

Convolution is the main building block of convolutional neural networks (CNN). We observe that an optimized CNN often has highly correlated filters as the number of channels increases with depth, reducing the expressive power of feature…

We propose to use channel inversion power control (CIPC) to achieve one-way ultra-reliable and low-latency communications (URLLC), where only the transmission in one direction requires ultra reliability and low latency. Based on channel…

We introduce a simple definition of the weight of any given Slater determinant in the coupled-cluster state, namely as the expectation value of the projection operator onto that determinant. The definition can be applied to any…

We study diagonal and transition quark dipole operators in a class of extended technicolor (ETC) models, taking account of the multiscale nature of the ETC gauge symmetry breaking and of the mixing among ETC interaction eigenstates. Because…

Multicomponent systems are defined as chemical systems that require a quantum mechanical description of two or more different types of particles. Non-Born-Oppenheimer electron-nuclear interactions in molecules, electron-hole interactions in…

Entanglement-assisted concatenated quantum codes (EACQCs), constructed by concatenating two quantum codes, are proposed. These EACQCs show several advantages over the standard concatenated quantum codes (CQCs). Several families of EACQCs…

In this work, we introduce a correction to the unitary coupled cluster method with single and double excitations (UCCSD) that incorporates the effects of missing triple excitations through a treatment that is correct through fifth-order in…

Atomic nuclei can exhibit shape coexistence and multi-reference physics that enters in their ground states, and to accurately capture the ensuing correlations and entanglement is challenging. We address this problem by applying…

In this paper we continue the study of the truncated conformal space approach to perturbed boundary conformal field theories. This approach to perturbation theory suffers from a renormalisation of the coupling constant and a multiplicative…

Accurate wave-function descriptions of pristine and defected solids remain challenging due to the simultaneous presence of finite-size, basis-set, and correlation errors. While embedding techniques alleviate finite-size effects and…

Clustering is a fundamental task in both machine learning and data mining. Among various methods, edge-colored clustering (ECC) has emerged as a useful approach for handling categorical data. Given a hypergraph with (hyper)edges labeled by…

The issue of orbital relaxation in computational core-hole spectroscopy, specifically x-ray absorption, has been a major problem for methods such as equation-of-motion coupled cluster with singles and doubles (EOM-CCSD). The…

Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell structures, a large OB is needed to saturate all the…

Correlation Clustering (CC) is a fundamental unsupervised learning primitive whose strongest LP-based approximation guarantees require $\Theta(n^3)$ triangle inequality constraints and are prohibitive at scale. We initiate the study of…

We study the convergence of a linear atomic cluster expansion (ACE) potential with respect to its basis functions, in terms of the effective two-body interactions of elemental Carbon and Silicon systems. We build ACE potentials with…

A major difficulty in quantum simulation is the adequate treatment of a large collection of entangled particles, synonymous with electron correlation in electronic structure theory, with coupled cluster (CC) theory being the leading…

Self-Consistent RPA is rederived in a consistent way with the help of the Coupled Cluster ground state wave function truncated at the two body level. An exact killing operator for this wave function is introduced allowing for a detailed…

The iterative qubit coupled cluster (iQCC) method is a systematic variational approach to solve the electronic structure problem on universal quantum computers. It is able to use arbitrarily shallow quantum circuits at expense of iterative…