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We have developed an efficient method for performing density matrix renormalization group (DMRG) simulations of the SU(N) Fermi-Hubbard chain with open boundary conditions, fully leveraging the SU(N) symmetry of the problem. This method…
We present a mean-field approach to simulating merging processes of two spherical collisionless stellar systems. This approach is realized with a self-consistent field (SCF) method in which the full spatial dependence of the density and…
Density Matrix Renormalization Group (DMRG) and its extensions in the form of Matrix Product States (MPS) are arguably the choice for the study of one dimensional quantum systems in the last three decades. However, due to the limited…
The density matrix renormalization group (DMRG) method allows for very precise calculations of ground state properties in low-dimensional strongly correlated systems. We investigate two methods to expand the DMRG to calculations of…
For a description of large-amplitude collective motion associated with nuclear pairing, requantization of time-dependent mean-field dynamics is performed using the stationary-phase approximation (SPA) to the path integral. We overcome the…
In this work, we present a one-step second-order converger for state-specific (SS) and state-averaged (SA) complete active space self-consistent field (CASSCF) wave functions. Robust convergence is achieved through step restrictions using a…
Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost. Traditional methods, such as complete active space…
We extend the active space decomposition method, recently developed by us, to more than two active sites using the density matrix renormalization group algorithm. The fragment wave functions are described by complete or restricted…
In this paper, we discuss the convergence of an Algebraic MultiGrid (AMG) method for general symmetric positive-definite matrices. The method relies on an aggregation algorithm, named \emph{coarsening based on compatible weighted matching},…
Nuclear state densities are important inputs to statistical models of compound-nucleus reactions. State densities are often calculated with self-consistent mean-field approximations that do not include important correlations and have to be…
A combined density and first-order reduced-density-matrix (1RDM) functional method is proposed for the calculation of potential energy curves (PECs) of molecular multibond dissociation. Its 1RDM functional part, a pair density functional,…
Continuous tensor network gives a variational ansatz for the ground state of the quantum field theories (QFTs). The notable examples are the continuous matrix product state (cMPS) and the continuous multiscale entanglement renormalization…
We adapt White's density matrix renormalisation group (DMRG) to the direct study of critical phenomena. We use the DMRG to generate transformations in the space of coupling constants. We postulate that a study of density matrix eigenvalues…
Constrained density functional theory (cDFT) is a versatile electronic structure method that enables ground-state calculations to be performed subject to physical constraints. It thereby broadens their applicability and utility. Automated…
A generalization of matrix product states (MPS) is introduced which is suitable for describing interacting quantum systems in two and three dimensions. These scale-renormalized matrix-product states (SR-MPS) are based on a course-graining…
A method of resummation of truncated perturbation series, related to diagonal Pad\'e approximants but giving results independent of the renormalization scale, was developed more than ten years ago by us with a view of applying it in…
We study theoretically poly-diacetylene chains diluted in their monomer matrix. We employ the density-matrix renormalization group method (DMRG) on finite chains to calculate the ground state and low-lying excitations of the corresponding…
We propose a new density matrix renormalization group (DMRG) approach to study lattices including bosons. The key to the new approach is an exact mapping of a boson site containing 2^N states to N pseudo-sites, each with 2 states. The…
This work focuses on the development of a non-conforming domain decomposition method for the approximation of PDEs based on weakly imposed transmission conditions: the continuity of the global solution is enforced by a discrete number of…
In this article, the formulation of Lagrange Multiplier State-Space Substructuring (LM-SSS) is presented and extended to directly compute coupled displacement and velocity state-space models. The LM-SSS method is applied to couple and…