Related papers: Aufbau suppressed coupled cluster as a post-linear…
In quantum chemistry, obtaining a system's mean-field solution and incorporating electron correlation in a post Hartree-Fock (HF) manner comprise one of the standard protocols for ground-state calculations. In principle, this scheme can…
A novel approach to rapidly converging high-level coupled-cluster (CC) energetics in an automated fashion is proposed. The key idea is an adaptive selection of the excitation manifolds defining higher-than-two-body components of the cluster…
Sparse representations with learned dictionaries have been successful in several image analysis applications. In this paper, we propose and analyze the framework of ensemble sparse models, and demonstrate their utility in image restoration…
Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…
Weak-coupling expansions (conserving approximations) are carried out for the attractive Holstein and Hubbard models (on an infinite-dimensional hypercubic lattice) that include all bandstructure and vertex correction effects. Quantum…
We present a new linked cluster expansion for calculating properties of multiparticle excitation spectra to high orders. We use it to obtain the two-particle spectra for systems of coupled spin-half dimers. We find that even for weakly…
We propose a non-iterative, post hoc correction to the unitary coupled cluster theory with single, double, and triple excitations (UCCSDT) ansatz, which considers the leading-order effects of neglected quadruple excitations. We present two…
In purely repulsive, $C_{4v}$-symmetric Hubbard clusters a correlation effect produces an effective two-body attraction and pairing; the key ingredient is the availability of W=0 pairs, that is, two-body solutions of appropriate symmetry.…
In this paper we characterize the output feedback stabilization of some coupled systems with delay. The proof of the main result uses the method introduced in Ammari and Tucsnak \cite{at} where the exponential stability for the closed loop…
We develop a linear theory for the prediction of excitation wave quenching -- the construction of minimal perturbations which return stable excitations to quiescence -- for localized pulse solutions in models of excitable media. The theory…
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…
Finding well-defined clusters in data represents a fundamental challenge for many data-driven applications, and largely depends on good data representation. Drawing on literature regarding representation learning, studies suggest that one…
Modern large-scale machine learning applications require stochastic optimization algorithms to be implemented on distributed compute systems. A key bottleneck of such systems is the communication overhead for exchanging information across…
It is known that purely repulsive self-propelled colloids can undergo bulk liquid-vapor phase separation. In experiments and large scale simulations, however, more complex steady states are also seen, comprising a dynamic population of…
Coupled relaxation oscillators, realized via chemical or other means, can exhibit a multiplicity of steady states, characterized by spatial patterns resulting from lateral inhibition. We show that perturbation-initiated transformations…
We propose a multireference linearized coupled cluster theory using matrix product states (MPS-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration…
State-of-the-art subspace clustering methods are based on self-expressive model, which represents each data point as a linear combination of other data points. By enforcing such representation to be sparse, sparse subspace clustering is…
This paper deals with the backstepping design of observer-based compensators for parabolic ODE-PDE-ODE systems. The latter consist of n coupled parabolic PDEs with distinct diffusion coefficients and spatially-varying coefficients, that are…
Convergence problems in coupled-cluster iterations are discussed, and a new iteration scheme is proposed. Whereas the Jacobi method inverts only the diagonal part of the large matrix of equation coefficients, we invert a matrix which also…
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…