Related papers: Continuous momentum dependence in the dynamical cl…
Simulations of one quantum system by an other has an implication in realization of quantum machine that can imitate any quantum system and solve problems that are not accessible to classical computers. One of the approach to engineer…
The direct ring coupled-cluster doubles (drCCD)-based random phase approximation (RPA) has provided an attractive framework for the development and application of RPA-related methods. However, a potential unphysical solution issue recently…
We develop, clarify and test various aspects of cluster methods dynamical mean field methods using a soluble toy model as a benchmark. We find that the Cellular Dynamical Mean Field Theory (C-DMFT) converges very rapidly and compare its…
Nonequilibrium dynamics of highly-controlled quantum systems is a challenging issue in statistical physics and quantum many-body physics, relevant to recent experimental developments of analog and digital quantum simulations. In this work,…
We formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Near the defect core the method employs a potential-based atomistic model, which enables accurate simulation of the…
Diffusion Monte Carlo (DMC) simulations for fermions are becoming the standard to provide high quality reference data in systems that are too large to be investigated via quantum chemical approaches. DMC with the fixed-node approximation…
For the treatment of interacting electrons in crystal lattices approximations based on the picture of effective sites, coupled in a self-consistent fashion, have proven very useful. Particularly in the presence of strong local correlations,…
This paper considers convex optimization problems where nodes of a network have access to summands of a global objective. Each of these local objectives is further assumed to be an average of a finite set of functions. The motivation for…
Ensemble clustering integrates a set of base clustering results to generate a stronger one. Existing methods usually rely on a co-association (CA) matrix that measures how many times two samples are grouped into the same cluster according…
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…
Clustering multi-dimensional points is a fundamental task in many fields, and density-based clustering supports many applications as it can discover clusters of arbitrary shapes. This paper addresses the problem of Density-Peaks Clustering…
We review results obtained with a recently proposed variational cluster approach (VCA) for the competition between d-wave superconductivity (dSC) and antiferromagnetism (AF) in the high-Tc cuprates. Comparing the single-particle spectra of…
Quantum-dot Cellular Automata (QCA) may offer a viable alternative of traditional transistor-based technology at the nanoscale. When modeling a QCA circuit, the number of degrees of freedom necessary to describe the quantum mechanical state…
Simulations of extended quantum systems are typically performed by extrapolating results of a sequence of finite-system-size simulations to the thermodynamic limit. In the quantum Monte Carlo community, twist-averaging was pioneered as an…
Minimizing the difference of two submodular (DS) functions is a problem that naturally occurs in various machine learning problems. Although it is well known that a DS problem can be equivalently formulated as the minimization of the…
We introduce a Cellular Dynamical Cluster Approximation (CDCA) to study the nature of the Mott insulator-metal transition in the extended Hubbard model on a square lattice. At strong coupling, a d-wave Mott insulator is obtained. Hole…
This article explores distributed convex optimization with globally-coupled constraints, where the objective function is a general nonsmooth convex function, the constraints include nonlinear inequalities and affine equalities, and the…
It is long known that the best single-site coherent potential approximation (CPA) falls short of describing Anderson localization (AL). Here, we study a binary alloy disorder (or equivalently, a spinless Falicov-Kimball (FK)) model and…
We generalize the typical medium dynamical cluster approximation (TMDCA) and the local Blackman, Esterling, and Berk (BEB) method for systems with off-diagonal disorder. Using our extended formalism we perform a systematic study of the…
In this paper, we discuss extending the sub-system embedding sub-algebra coupled cluster (SESCC) formalism and the double unitary coupled cluster (DUCC) Ansatz to the time domain. An important part of the analysis is associated with proving…