Related papers: Continuous momentum dependence in the dynamical cl…
Magnetic and electronic properties of the Hubbard model on the Bethe and fcc lattices in infinite dimensions have been investigated numerically on the basis of the dynamical coherent potential approximation (CPA) theory combined with the…
While the coherent potential approximation (CPA) is the prevalent method for the study of disordered electronic systems, it fails to capture non-local correlations and Anderson localization. To incorporate such effects, we extend the dual…
In this work, we adapt the formalism of the dynamical vertex approximation (D$\Gamma$A), a diagrammatic approach including many-body correlations beyond the dynamical mean-field theory, to the case of attractive onsite interactions. We…
Decentralized optimization, particularly the class of decentralized composite convex optimization (DCCO) problems, has found many applications. Due to ubiquitous communication congestion and random dropouts in practice, it is highly…
Ab initio methods based on the second-order and higher connected moments, or cumulants, of a reference function have seen limited use in the determination of correlation energies of chemical systems throughout the years. Moment-based…
Stochastic algorithms are well-known for their performance in the era of big data. In convex optimization, stochastic algorithms have been studied in depth and breadth. However, the current body of research on stochastic algorithms for…
The Hubbard model is the simplest model that is believed to exhibit superconductivity arising from purely repulsive interactions, and has been extensively applied to explore a variety of unconventional superconducting systems. Here we study…
Quantum cluster theories are a set of approaches for the theory of correlated and disordered lattice systems, which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a…
We compute the dynamical charge susceptibility in the two-dimensional Hubbard model within the dynamical cluster approximation. In order to understand the connection between charge susceptibility and pseudogap, we investigate the momentum,…
We present a novel approximation scheme for the treatment of strongly correlated electrons in arbitrary crystal lattices. The approach extends the well-known dynamical mean field theory to include nonlocal two-site correlations of arbitrary…
The small magnitude and long-range character of non-covalent interactions pose a significant challenge for computational quantum chemical and electronic-structure methods alike. State-of-the-art coupled cluster (CC) theory and…
Density functional theory (DFT) provides convenient electronic structure methods for the study of molecular systems and materials. Regular Kohn-Sham DFT calculations rely on unitary transformations to determine the ground-state electronic…
We propose a new approach to perform the boosted difference of convex functions algorithm (BDCA) on non-smooth and non-convex problems involving the difference of convex (DC) functions. The recently proposed BDCA uses an extrapolation step…
Density-based clustering has found numerous applications across various domains. The Density-Based Spatial Clustering of Applications with Noise (DBSCAN) algorithm is capable of finding clusters of varied shapes that are not linearly…
Direct Coupling Analysis (DCA) is a now widely used method to leverage statistical information from many similar biological systems to draw meaningful conclusions on each system separately. DCA has been applied with great success to…
We present a detailed discussion of our novel diagrammatic coupled cluster Monte Carlo (diagCCMC) [Scott et al. J. Phys. Chem. Lett. 2019, 10, 925]. The diagCCMC algorithm performs an imaginary-time propagation of the similarity-transformed…
In this paper, we study the convergence rate of the DCA (Difference-of-Convex Algorithm), also known as the convex-concave procedure, with two different termination criteria that are suitable for smooth and nonsmooth decompositions…
Given points from an arbitrary metric space and a sequence of point updates sent by an adversary, what is the minimum recourse per update (i.e., the minimum number of changes needed to the set of centers after an update), in order to…
This paper introduces the Lagrange Policy for Continuous Actions (LPCA), a reinforcement learning algorithm specifically designed for weakly coupled MDP problems with continuous action spaces. LPCA addresses the challenge of resource…
The one-dimensional Hubbard model is investigated by means of two different cluster schemes suited to introduce short-range spatial correlations beyond the single-site Dynamical Mean-Field Theory, namely the Cluster-Dynamical Mean-Field…