Related papers: Excitation spectrum and Density Matrix Renormaliza…
We extend our previous work [J. Chem. Phys, \textbf{136}, 124121], which described a spin-adapted (SU(2) symmetry) density matrix renormalization group (DMRG) algorithm, to additionally utilize general non-Abelian point group symmetries. A…
We describe a simple method to find the ground state energy without calculating the expectation value of the Hamiltonian in the time-evolving block decimation algorithm with tensor network states. For example, we consider quantum…
For a given quantum impurity model, Wilson's numerical renormalization group (NRG) naturally defines a NRG Hamiltonian whose exact eigenstates and eigenenergies are obtainable. We give exact expressions for the free energy, static, as well…
The excitation ansatz for tensor networks is a powerful tool for simulating the low-lying quasiparticle excitations above ground states of strongly correlated quantum many-body systems. Recently, the two-dimensional tensor network class of…
Structural excitations of model Lennard-Jones glass systems are investigated using the Activation-Relaxation-Technique (ART), which explores the potential energy landscape of a local minimum energy configuration by converging to a nearby…
In this work we set up a model Hamiltonian to study the excited state quantum dynamics of 1,1-difluoroethylene, a molecule that has equivalent atoms exchanged by a torsional symmetry operation leading to equivalent minima on the potential…
Variational calculations of excited electronic states are carried out by finding saddle points on the surface that describes how the energy of the system varies as a function of the electronic degrees of freedom. This approach has several…
In this paper, we construct an exactly solvable lattice Hamiltonian model to investigate the properties of a composite system consisting of multiple topological orders separated by gapped domain walls. There are interdomain elementary…
The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid…
Numerical methods based on matrix product states (MPSs) are currently the de facto standard for calculating the ground-state properties of (quasi-)one-dimensional quantum many-body systems. While the properties of the low-lying excitations…
Accurate modeling of warm and hot dense matter is challenging in part due to the multitude of excited states that must be considered. In thermal density functional theory, these excited states are averaged over to produce a single,…
The spin-$1$ orthogonal dimer chain is investigated using the Density Matrix Renormalization Group (DMRG) algorithm. A transformation to a basis that uses the local eigenstates of the orthogonal dimers, while retaining the local spin states…
Recently, it was discussed that the $\nu=1/3$ fractional quantum Hall state can be expressed by a one-dimensional lattice model with an exact matrix-prduct ground state, when toroidal boundary conditions are assumed for a narrow strip…
Given a renormalization scheme, we show how to formulate a tractable convex relaxation of the set of feasible local density matrices of a many-body quantum system. The relaxation is obtained by introducing a hierarchy of constraints between…
Dynamical electronic- and vibrational-structure theories have received a growing interest in the last years due to their ability to simulate spectra recorded with ultrafast experimental techniques. The exact time evolution of a molecular…
Excited state quantum phase transitions (ESQPTs) are generalizations of quantum phase transitions (QPTs) to excited levels. They are associated with local divergences in the density of states. Here, we investigate how the presence of an…
The density matrix renormalization group (DMRG) method generates the low-energy states of linear systems of $N$ sites with a few degrees of freedom at each site by starting with a small system and adding sites step by step while keeping…
We investigate a model for the regularly depleted two-leg spin ladder systems. By using Lieb-Schultz-Mattis theorem, it is rigorously shown that this model realizes massless excitations or, alternatively, a degenerate ground state, although…
For every Matrix Product State (MPS) one can always construct a so-called parent Hamiltonian. This is a local, frustration free, Hamiltonian which has the MPS as ground state and is gapped. Whenever that parent Hamiltonian has a degenerate…
We propose a framework for the connection between local symmetries of discrete Hamiltonians and the design of compact localized states. Such compact localized states are used for the creation of tunable, local symmetry-induced bound states…