Related papers: Self-Consistent Embedding of Density-Matrix Renorm…
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electronic structure. Here, we report techniques to improve the…
In the recent paper [17] the first experimental determination of the density matrix of a free electron beam has been reported. The employed method leads to a linear inverse problem with a positive semidefinite operator as unknown. The…
Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the…
The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamical…
Based on the Renormalization Group method, a reduction of non integrable multi-dimensional hamiltonian systems has been performed. The evolution equations for the slowly varying part of the angle-averaged phase space density, and for the…
We report a physical background of the wave function prediction in the infinite system density matrix renormalization group (DMRG) method, from the view point of two-dimensional vertex model, a typical lattice model in statistical…
In this paper, we investigate the energy minimization model of the ensemble Kohn-Sham density functional theory for metallic systems, in which a pseudo-eigenvalue matrix and a general smearing approach are involved. We study the invariance…
Frozen Density Embedding (FDE) represents a versatile embedding scheme to describe the environmental effect on the electron dynamics in molecular systems. The extension of the general theory of FDE to the real-time time-dependent Kohn-Sham…
We review the variational principle in the density matrix renormalization group (DMRG) method, which maximizes an approximate partition function within a restricted degrees of freedom; at zero temperature, DMRG mini- mizes the ground state…
The density matrix renormalization group (DMRG) method is applied to the interaction round a face (IRF) model. When the transfer matrix is asymmetric, singular-value decomposition of the density matrix is required. A trial numerical…
A tensor network renormalization algorithm with global optimization based on the corner transfer matrix is proposed. Since the environment is updated by the corner transfer matrix renormalization group method, the forward-backward iteration…
The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamic and…
We review White's density matrix renormalisation group method, an increasingly popular method for the solution of low dimensional quantum Hamiltonians. We describe some applications to frustrated spin systems, quantum critical phenomena,…
In some cases the state of a quantum system with a large number of subsystems can be approximated efficiently by the density matrix renormalization group, which makes use of redundancies in the description of the state. Here we show that…
By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reducing the computational scaling of Kohn--Sham DFT. To date,…
The density matrix renormalization group (DMRG) method introduced by White for the study of strongly interacting electron systems is reviewed; the method is variational and considers a system of localized electrons as the union of two…
We propose a density matrix renormalization group approach to tackle a two-state system coupled to a bosonic bath with continuous spectrum. In this approach, the optimized phonon scheme is applied to several hundred phonon modes which are…
We study the wave function localization properties in a d-dimensional model of randomly spaced particles with isotropic hopping potential depending solely on Euclidean interparticle distances. Due to the generality of this model usually…
The renormalization group method is applied to the study of discrete dynamical systems. As a particular example, the Henon map is considered as applied to describe the transverse betatron oscillations in a cyclic accelerator or storage ring…
We generalize the corner transfer matrix renormalization group, which consists of White's density matrix algorithm and Baxter's method of the corner transfer matrix, to three dimensional (3D) classical models. The renormalization group…