Related papers: The Coupled Cluster Method Applied to Quantum Magn…
A parallel implementation of coupled spin-lattice dynamics in the LAMMPS molecular dynamics package is presented. The equations of motion for both spin only and coupled spin-lattice dynamics are first reviewed, including a detailed account…
The coupled cluster method (CCM) is one of the most successful and universally applicable techniques in quantum many-body theory. The intrinsic nonlinear and non-perturbative nature of the method is considered to be one of its advantages.…
This paper extends the inverse substructuring (IS) approach to the state-space domain and presents a novel state-space substructuring (SSS) technique that embeds the dynamics of connecting elements (CEs) in the Lagrange Multiplier…
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…
An overview is given over the recently developed and now widely used Monte Carlo algorithms with reduced or eliminated critical slowing down. The basic techniques are overrelaxation, cluster algorithms and multigrid methods. With these…
A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…
We present a novel multi-scale embedding scheme that links conventional QM/MM embedding and bootstrap embedding (BE) to allow simulations of large chemical systems on limited quantum devices. We also propose a mixed-basis BE scheme that…
Quantum lattice models with large local Hilbert spaces emerge across various fields in quantum many-body physics. Problems such as the interplay between fermions and phonons, the BCS-BEC crossover of interacting bosons, or decoherence in…
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…
A simple phenomenological real-space renormalization group method for quantum Heisenberg spins with nearest and next nearest neighbour interactions on a pyrochlore lattice is presented. Assuming a scaling law for the order parameter of two…
We study a model of spins 1/2 on a square lattice, generalizing the quantum compass model via the addition of perturbing Heisenberg interactions between nearest neighbors, and investigate its phase diagram and magnetic excitations. This…
Geometric frustration gives rise to emergent quantum phenomena and exotic phases of matter. While Monte Carlo methods are traditionally used to simulate such systems, their sampling efficiency is limited by the complexity of interactions…
After a brief introduction to the statistical description of data, these lecture notes focus on quantum field theories as they emerge from lattice models in the critical limit. For the simulation of these lattice models, Markov chain…
The Lieb-Schultz-Mattis (LSM) theorem and its extensions forbid trivial phases from arising in certain quantum magnets. Constraining infrared behavior with the ultraviolet data encoded in the microscopic lattice of spins, these theorems tie…
We consider a new formulation of the stochastic coupled cluster method in terms of the similarity transformed Hamiltonian. We show that improvement in the granularity with which the wavefunction is represented results in a reduction in the…
Finite-temperature magnetism gives rise to many phenomena in alloy materials, such as magnetic phase transformations, short or medium range order in magnetic alloys, spin waves, critical phenomena, and the magnetocaloric effect. Lattice…
Using a combination of quantum Monte Carlo simulations in adapted cluster bases, the finite temperature Lanczos method, and an effective Hamiltonian approach, we explore the thermodynamic properties of the spin-1/2 Heisenberg…
The main ideas and some of the most important results of the spherically symmetric self-consistent approach and a number of related theoretical algorithms are presented. These methods make it possible to study low-dimensional…
A cluster Monte Carlo method for systems of classical spins with purely dipolar couplings is presented. It is tested and applied for finite arrays of perpendicular Ising dipoles on the triangular lattice. This model is a modification with…
We present a novel algorithm that allows one to obtain temperature dependent properties of quantum lattice models in the thermodynamic limit from exact diagonalization of small clusters. Our Numerical Linked Cluster (NLC) approach provides…