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We introduce a mean-field and perturbative approach, based on clusters, to describe the ground state of fermionic strongly-correlated systems. In cluster mean-field, the ground state wavefunction is written as a simple tensor product over…

Strongly Correlated Electrons · Physics 2016-04-05 Carlos A. Jiménez-Hoyos , Gustavo E. Scuseria

We present an innovative cluster-based method employing linear combinations of diverse cluster mean-field (cMF) states, and apply it to describe the ground state of strongly-correlated spin systems. In cluster mean-field theory, the ground…

Strongly Correlated Electrons · Physics 2024-05-03 Athanasios Papastathopoulos-Katsaros , Thomas M. Henderson , Gustavo E. Scuseria

A cluster mean-field method is introduced and the applications to the Ising and Heisenberg models are demonstrated. We divide the lattice sites into clusters whose size and shape are selected so that the equivalence of all sites in a…

Strongly Correlated Electrons · Physics 2013-05-29 Daisuke Yamamoto

We introduce $S_z$ spin-projection based on cluster mean-field theory and apply it to the ground state of strongly-correlated spin systems. In cluster mean-field, the ground state wavefunction is written as a factorized tensor product of…

Strongly Correlated Electrons · Physics 2023-08-24 Athanasios Papastathopoulos-Katsaros , Thomas M. Henderson , Gustavo E. Scuseria

We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals and cluster amplitudes are optimized for an individual excited state. The theory is formulated via a pseudoprojection of the traditional…

Chemical Physics · Physics 2023-11-27 Harrison Tuckman , Eric Neuscamman

In this tutorial-style review we discuss basic concepts of coupled cluster theory and recent developments that increase its computational efficiency for calculations of molecules, solids and materials in general. We will touch upon the…

Materials Science · Physics 2020-04-15 Igor Ying Zhang , Andreas Grüneis

A general expansion scheme based on the concept of linked cluster expansion from the theory of classical spin systems is constructed for models of interacting electrons. It is shown that with a suitable variational formulation of mean-field…

Condensed Matter · Physics 2009-10-28 Vaclav Janis , Jan Schlipf

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…

Superconductivity · Physics 2009-11-11 T. A. Maier , M. S. Jarrell , D. J. Scalapino

We show that short-range correlations have a dramatic impact on the steady-state phase diagram of quantum driven-dissipative systems. This effect, never observed in equilibrium, follows from the fact that ordering in the steady state is of…

Statistical Mechanics · Physics 2016-07-29 Jiasen Jin , Alberto Biella , Oscar Viyuela , Leonardo Mazza , Jonathan Keeling , Rosario Fazio , Davide Rossini

Cluster perturbation theory is a technique for calculating the spectral weight of Hubbard models of strongly correlated electrons, which combines exact diagonalizations on small clusters with strong-coupling perturbation theory at leading…

Strongly Correlated Electrons · Physics 2009-11-07 D. Sénéchal , D. Pérez , D. Plouffe

Quantum periodic cluster methods for strongly correlated electron systems are reformulated and developed. The reformulation and development are based on a canonical transformation which periodizes the fermions in the cluster space. The…

Strongly Correlated Electrons · Physics 2007-05-23 Tran Minh-Tien

Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system, or has to artificially break certain…

Chemical Physics · Physics 2020-05-14 Yiheng Qiu , Thomas M. Henderson , Jinmo Zhao , Gustavo E. Scuseria

A multi-chain mean-field theory is developed and applied to a two-dimensional system of weakly coupled S=1/2 Heisenberg chains. The environment of a chain C_0 is modeled by a number of neighbor chains C_d, d = +/-1,...,+/-n, with the edge…

Strongly Correlated Electrons · Physics 2009-10-31 Anders W. Sandvik

We propose an entanglement mean field theory inspired approach for dealing with interacting classical many-body systems. It involves a coarse-graining technique that terminates a step before the mean field theory: While mean field theory…

Strongly Correlated Electrons · Physics 2013-07-12 Aditi Sen De , Ujjwal Sen

A self-energy-functional approach is applied to construct cluster approximations for correlated lattice models. It turns out that the cluster-perturbation theory (Senechal et al, PRL 84, 522 (2000)) and the cellular dynamical mean-field…

Strongly Correlated Electrons · Physics 2007-05-23 M. Potthoff , M. Aichhorn , C. Dahnken

A procedure to predict the occurrence of periodic clusters in a system of globally coupled maps displaying a constant mean field is presented. The method employs the analogy between a system of globally coupled maps and a single map driven…

chao-dyn · Physics 2015-06-24 A. Parravano , M. G. Cosenza

In the molecular quantum chemistry community, coupled-cluster (CC) methods are well-recognized for their systematic convergence and reliability. The extension of the theory to extended systems has been comparably recent, so that…

Chemical Physics · Physics 2024-10-31 Andreas Grüneis , Evgeny Moerman , Matthias Scheffler , Tonghao Shen , Igor Ying Zhang

Guided by perturbative analysis, we improve the accuracy of Aufbau suppressed coupled cluster theory in simple single excitations, multi-configurational single excitations, and charge transfer excitations while keeping the cost of its…

Chemical Physics · Physics 2025-03-26 Harrison Tuckman , Ziheng Ma , Eric Neuscamman

This work presents a first time accurate calculation of the magnetic dipole hyperfine structure constants for the ground state and some low-lying excited states of Pb$^+$. By comparing different levels of approximation with experimental…

Atomic Physics · Physics 2009-11-10 Bijaya K. Sahoo , Rajat K. Chaudhuri , B. P. Das , Holger Merlitz , Debashis Mukherjee

The failures of single-reference coupled cluster for strongly correlated many-body systems is flagged at the mean-field level by the spontaneous breaking of one or more physical symmetries of the Hamiltonian. Restoring the symmetry of the…

Strongly Correlated Electrons · Physics 2017-08-22 Matthew R. Hermes , Jorge Dukelsky , Gustavo E. Scuseria
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