Related papers: Flexible DMRG-based framework for anharmonic vibra…
We study the one-dimensional $S=1/2$ Heisenberg model with a uniform and a staggered magnetic fields, using the dynamical density-matrix renormalization group (DDMRG) technique. The DDMRG enables us to investigate the dynamical properties…
We analyze quantum mechanical systems using the non-perturbative renormalization group (NPRG). The NPRG method enables us to calculate quantum corrections systematically and is very effective for studying non-perturbative dynamics. We start…
The present paper is the first of two articles aimed at constructing $n$-degree-of-freedom Hamiltonian systems by an algebraic approach. In molecular spectroscopy, the construction of vibrational Hamiltonian for strongly excited molecular…
Nematic order is an exotic property observed in several strongly correlated systems, such as the iron-based superconductors. Using large-scale density matrix renormalization group (DMRG) techniques, we study at zero-temperature the nematic…
The aim of this paper is to develop a virtual element method (VEM) for the vibration problem of thin plates on polygonal meshes. We consider a variational formulation relying only on the transverse displacement of the plate and propose an…
The low temperature thermodynamics of correlated 1D fermionic models with spin and charge degrees of freedom is obtained by exact diagonalization (ED) of small systems and followed by density matrix renormalization group (DMRG) calculations…
It is well-known that not only the orbital ordering but also the choice of the orbitals themselves as the basis may significantly influence the computational efficiency of density-matrix renormalization group (DMRG) calculations. In this…
We introduce a Lagrangian formulation of the Density Matrix Renormalization Group (DMRG). We present Lagrangians which when minimised yield the optimal DMRG wavefunction in a variational sense, both within the general matrix product ansatz,…
We present a deformable Discrete Element Method (DEM) that extends the classical rigid-particle formulation through a reduced-order description of elastic grain-scale deformation. The method hinges on two developments. First, an energetic…
The density matrix renormalization group (DMRG) algorithm is a popular alternating minimization scheme for solving high-dimensional optimization problems in the tensor train format. Classical DMRG, however, is based on sequential…
We derive a variational multiscale (VMS) finite element formulation for a viscoelastic, tensor-based blood damage model. The tensor equation is numerically stabilized by a logarithmic shape tensor description that prevents unphysical,…
A density-functional-theory based approach to efficiently compute numerically exact vibrational free energies - including anharmonicity - for chemically complex multicomponent alloys is developed. It is based on a combination of…
Resonant structures in modern nanophotonics are non-Hermitian (leaky and lossy), and support quasinormal modes. Moreover, contemporary cavities frequently include 2D materials to exploit and resonantly enhance their nonlinear properties or…
A formulation of the Ginzburg-Landau-Wilson version of the partition function of a system with a continuously varying order parameter as a transfer matrix calculation allows for the application of methods based on the Density Matrix…
An algebraic method especially suited to describe strongly anharmonic vibrational spectra in molecules may be an appropriate framework to study vibrational spectra of Na$^+_n$ clusters, where nearly flat potential energy surfaces and the…
The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of…
We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous…
We develop a density-matrix renormalization group (DMRG) algorithm for the simulation of quantum circuits. This algorithm can be seen as the extension of time-dependent DMRG from the usual situation of hermitian Hamiltonian matrices to…
We employ the density matrix renormalization group (DMRG) and the wave function factorization method for the numerical solution of large scale nuclear structure problems. The DMRG exhibits an improved convergence for problems with realistic…
We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications in a…