Related papers: Density matrix renormalization group and wave func…
The projection-based wave function (WF)-in-DFT embedding enables an efficient description of both the energetics and properties of large and complex chemical systems, with accuracy exceeding that of pure DFT. Recently, we have proposed…
We present a construction of a matrix product state (MPS) that approximates the largest-eigenvalue eigenvector of a transfer matrix T, for the purpose of rapidly performing the infinite system density matrix renormalization group (DMRG)…
Variational approaches for the calculation of vibrational wave functions and energies are a natural route to obtain highly accurate results with controllable errors. However, the unfavorable scaling and the resulting high computational cost…
We present a unified framework for renormalization group methods, including Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG), within the language of matrix product states. This allows…
Functional renormalization group (FRG) is an exact method for taking into account the effect of quantum fluctuations in the effective action of the system. The FRG method applied to effective theories of nuclear matter yields equation of…
Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…
The Density Matrix Renormalization Group (DMRG) algorithm has been a rising star for the accurate ab initio exploration of Born-Oppenheimer potential energy surfaces in theoretical chemistry. However, owing to its iterative numerical…
In this paper we introduce a new approach for calculating dynamical properties within the numerical renormalization group. It is demonstrated that the method previously used fails for the Anderson impurity in a magnetic field due to the…
We present an integrated multiscale framework that combines the Density Matrix Renormalization Group (DMRG) with a polarizable fluctuating-charge (FQ) force field for the simulation of electronic excited states in solution. The method…
We develop a correction to the density matrix used in density matrix renormalization group calculations to take into account the incompleteness of the environment block. The correction allows successful calculations using only a single site…
We generalize the spectral sum rule preserving density matrix numerical renormalization group (DM-NRG) method in such a way that it can make use of an arbitrary number of not necessarily Abelian, local symmetries present in the quantum…
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,…
A major advance in density-matrix renormalization group (DMRG) calculations has been achieved by the invention of highly efficient DMRG techniques for the simulation of real-time dynamics of strongly correlated quantum systems in one…
The Density Matrix Renormalization Group (DMRG) algorithm is a powerful tool for solving eigenvalue problems to model quantum systems. DMRG relies on tensor contractions and dense linear algebra to compute properties of condensed matter…
We review recent developments in the use of renormalization group (RG) methods in low-energy nuclear physics. These advances include enhanced RG technology, particularly for three-nucleon forces, which greatly extends the reach and accuracy…
We propose a new approach to implement the density matrix renormalization group (DMRG) in two dimensions. With this approach the initial blocks of a L by L lattice are built up directly from the matrix elements of a (L-1) by L-1) lattice…
The particle-hole version of the density-matrix renormalization-group method (PH-DMRG) is utilized to calculate the ground-state energy of an interacting two-dimensional quantum dot. We show that a modification of the method, termed…
We develop a variant of the density matrix renormalization group (DMRG) algorithm for two-dimensional cylinders that uses a real space representation along the cylinder and a momentum space representation in the perpendicular direction. The…
The problem of the logarithmic discretization of an arbitrary positive function (such as the density of states) is studied in general terms. Logarithmic discretization has arbitrary high resolution around some chosen point (such as Fermi…
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…