Related papers: Symmetry adaptation for self-consistent many-body …
In these lecture notes, we present a pedagogical review of a number of related {\it numerically exact} approaches to quantum many-body problems. In particular, we focus on methods based on the exact diagonalization of the Hamiltonian matrix…
Exact diagonalization is a powerful numerical method to study isolated quantum many-body systems. This paper provides a review of numerical algorithms to diagonalize the Hamiltonian matrix. Symmetry and the conservation law help us perform…
This paper focuses on the parallel implementation of a direct $N$-body method~(particle-particle algorithm) and the application of multiple GPUs for galactic dynamics simulations. Application of a hybrid OpenMP-CUDA technology is considered…
It has previously been shown that varying the numerical timestep during a symplectic orbital integration leads to a random walk in energy and angular momentum, destroying the phase space-conserving property of symplectic integrators. Here…
Quantum systems typically reach thermal equilibrium rather quickly when coupled to a thermal environment. The usual way of bounding the speed of this process is by estimating the spectral gap of the dissipative generator. However the gap,…
This paper describes a fourth-order integration algorithm for the gravitational N-body problem based on discrete Lagrangian mechanics. When used with shared timesteps, the algorithm is momentum conserving and symplectic. We generalize the…
Symmetries play a pivotal role in our understanding of the properties of quantum many-body systems. While there are theorems and a well-established toolbox for systems in thermal equilibrium, much less is known about the role of symmetries…
We develop a method to deduce the symmetry properties of many-body Hamiltonians when they are prepared in Jordan-Wigner form for evaluation on quantum computers. Symmetries, such as point-group symmetries in molecules, are apparent in the…
The computational cost of simulating quantum many-body systems can often be reduced by taking advantage of physical symmetries. While methods exist for specific symmetry classes, a general algorithm to find the full permutation symmetry…
Exact diagonalization (ED) is a cornerstone technique in quantum many-body physics, enabling precise solutions to the Schr\"odinger equation for interacting quantum systems. Despite its utility in studying ground states, excited states, and…
Studied here is the effect of the presence of symmetry groups in a system of algebraic equations on the numerical resolution with fixed-point algorithms. It is proved that the symmetries imply two important properties of the system: the…
The use of adaptive mesh refinement (AMR) techniques is crucial for accurate and efficient simulation of higher dimensional spacetimes. In this work we develop an adaptive algorithm tailored to the integration of finite difference…
We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…
New features of a previously introduced Group Approach to Quantization are presented. We show that the construction of the symmetry group associated with the system to be quantized (the "quantizing group") does not require, in general, the…
Geometric numerical integration has recently been exploited to design symplectic accelerated optimization algorithms by simulating the Lagrangian and Hamiltonian systems from the variational framework introduced in Wibisono et al. In this…
Local electronic-structure methods in quantum chemistry operate on the ability to compress electron correlations more efficiently in a basis of spatially localized molecular orbitals than in a parent set of canonical orbitals. However, many…
We present a numerical implementation of the renormalization group (RG) for partial differential equations, constructing similarity solutions and travelling waves. We show that for a large class of well-localized initial conditions,…
The physics of electronic energy level alignment at interfaces formed between molecules and metals can in general be accurately captured by the \emph{ab initio} $GW$ approach. However, the computational cost of such $GW$ calculations for…
A symmetry group method is used to obtain exact solutions for a semilinear radial heat equation in $n>1$ dimensions with a general power nonlinearity. The method involves an ansatz technique to solve an equivalent first-order PDE system of…
The nuclear many-body problem for medium-mass systems is commonly addressed using wave-function expansion methods that build upon a second-quantized representation of many-body operators with respect to a chosen computational basis. While…