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Generalized gradient approximated (GGA) density functional theory (DFT) typically overestimates polarizability and bond-lengths, and underestimates force constants of covalent bonds. To overcome this problem we show that one can use…

Chemical Physics · Physics 2016-06-29 O. Anatole von Lilienfeld

The M$_k$ models for 1D lattice fermions are characterised by ${\cal N}=2$ supersymmetry and by an order-$k$ clustering property. This paper highlights connections with quantum field theories (QFTs) in various regimes. At criticality the…

Statistical Mechanics · Physics 2017-07-19 T. Fokkema , K. Schoutens

Diffusion-Limited Aggregation (DLA) is a cluster-growth model that consists in a set of particles that are sequentially aggregated over a two-dimensional grid. In this paper, we introduce a biased version of the DLA model, in which…

Discrete Mathematics · Computer Science 2021-12-20 Nicolas Bitar , Eric Goles , Pedro Montealegre

We first give a short review of the ``local-current approximation'' (LCA), derived from a general variation principle, which serves as a semiclassical description of strongly collective excitations in finite fermion systems starting from…

Atomic and Molecular Clusters · Physics 2008-11-26 M. Brack , P. Winkler , M. V. N. Murthy

This paper introduces a novel methodology of adapting the representation of videos based on the dynamics of their scene content variation. In particular, we demonstrate how the clustering of dynamic mode decomposition eigenvalues can be…

Computer Vision and Pattern Recognition · Computer Science 2025-10-08 Owen T. Huber , Raghu G. Raj , Tianyu Chen , Zacharie I. Idriss

We comparatively study the excitonic insulator state in the extended Falicov-Kimball model (EFKM, a spinless two-band model) on the two-dimensional square lattice using the variational cluster approximation (VCA) and the cluster dynamical…

Strongly Correlated Electrons · Physics 2017-06-22 Kosuke Hamada , Tatsuya Kaneko , Shohei Miyakoshi , Yukinori Ohta

If M is a monoid (e.g. the lattice Z^D), and G is a finite (nonabelian) group, then G^M is a compact group; a `multiplicative cellular automaton' (MCA) is a continuous transformation F:G^M-->G^M which commutes with all shift maps, and where…

Dynamical Systems · Mathematics 2007-05-23 Marcus Pivato

Mixing single and triple fermions an exact killing operator of the Coupled Cluster Doubles (CCD) wave function with good symmetry was found in \cite{Tohy13}. Using these operators with the equation of motion (EOM) method the so-called…

Nuclear Theory · Physics 2020-10-26 Mohsen Jemaï , Peter Schuck

The formation and motion of lattice defects such as cracks, dislocations, or grain boundaries, occurs when the lattice configuration loses stability, that is, when an eigenvalue of the Hessian of the lattice energy functional becomes…

Numerical Analysis · Mathematics 2015-05-13 Matthew Dobson , Mitchell Luskin , Christoph Ortner

Sufficiently strong inter-site interactions in extended-Hubbard and XXZ spin models result in dynamically-bound clusters at neighboring sites. We show that the dynamics of these clusters in two-dimensional lattices is remarkably different…

Quantum Gases · Physics 2021-04-28 Wei-Han Li , Arya Dhar , Xiaolong Deng , Luis Santos

One-dimensional quantum cellular automata (QCA) consist in a line of identical, finite dimensional quantum systems. These evolve in discrete time steps according to a local, shift-invariant unitary evolution. By local we mean that no…

Quantum Physics · Physics 2008-04-15 Pablo Arrighi , Vincent Nesme , Reinhard Werner

We benchmark the ground state energies and the density profiles of atomic repulsive Fermi gases in optical lattices computed via Density Functional Theory (DFT) against the results of diffusion Monte Carlo (DMC) simulations. The main focus…

Quantum Gases · Physics 2018-06-12 S. Pilati , I. Zintchenko , M. Troyer , F. Ancilotto

Lattice discretizations of continuous manifolds are common tools used in a variety of physical contexts. Conventional discrete approximations, however, cannot capture all aspects of the original manifold, notably its topology. In this paper…

High Energy Physics - Theory · Physics 2009-10-28 A. P. Balachandran , G. Bimonte , E. Ercolessi , G. Landi , F. Lizzi , G. Sparano , P. Teotonio-Sobrinho

We consider the approximability of center-based clustering problems where the points to be clustered lie in a metric space, and no candidate centers are specified. We call such problems "continuous", to distinguish from "discrete"…

Data Structures and Algorithms · Computer Science 2022-09-05 Deeparnab Chakrabarty , Maryam Negahbani , Ankita Sarkar

Decades of advances in mixed-integer linear programming (MILP) and recent development in mixed-integer second-order-cone programming (MISOCP) have translated very mildly to progresses in global solving nonconvex mixed-integer quadratically…

Optimization and Control · Mathematics 2018-11-21 Hongbo Dong , Yunqi Luo

Quantum Monte Carlo (QMC) simulations and the Local Density Approximation (LDA) are used to map the constant particle number (canonical) trajectories of the Bose Hubbard Hamiltonian confined in a harmonic trap onto the $(\mu/U,t/U)$ phase…

Other Condensed Matter · Physics 2009-11-13 G. G. Batrouni , H. R. Krishnamurthy , K. W. Mahmud , V. G. Rousseau , R. T. Scalettar

Relations between categorical variables can be analyzed conveniently by multiple correspondence analysis (MCA). %It is well suited to discover relations that may exist between categories of different variables. The graphical representation…

Methodology · Statistics 2016-03-11 Patrick J. F. Groenen , Julie Josse

The hybrid Monte Carlo (HMC) algorithm is a ubiquitous method in computational physics with applications ranging from condensed matter to lattice QCD and beyond. However, HMC simulations often suffer from long autocorrelation times,…

High Energy Physics - Lattice · Physics 2025-05-07 Johann Ostmeyer , Pavel Buividovich

To reproduce the diamond structure of silicon, double lattice (DL) potential constructed from two interatomic potentials for face centered cubic (fcc) lattice, is proposed for molecular dynamics (MD) simulations. For the validity test of MD…

Materials Science · Physics 2020-08-12 Hui Zhang , Chongyang Wei , Zhongwu Liu , Xichun Zhong , Dongling Jiao , Wanqi Qiu , Hongya Yu

We study the continuous-time structure of the difference-of-convex algorithm (DCA) for smooth DC decompositions with a strongly convex component. In dual coordinates, classical DCA is exactly the full-step explicit Euler discretization of a…

Optimization and Control · Mathematics 2026-04-09 Yi-Shuai Niu