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The dynamical mean field theory (DMFT) has become a standard technique for the study of strongly correlated models and materials overcoming some of the limitations of density functional approaches based on local approximations. An important…
This paper introduces a novel method to extend the Helmholtz Decomposition to n-dimensional sufficiently smooth and fast decaying vector fields. The rotation is described by a superposition of n(n-1)/2 rotations within the coordinate…
A momentum-space approach of the density-matrix renormalization-group (DMRG) method is developed. Ground state energies of the Hubbard model are evaluated using this method and compared with exact diagonalization as well as quantum…
We propose a tridiagonalization approach for non-Hermitian random matrices and Hamiltonians using singular value decomposition (SVD). This technique leverages the real and non-negative nature of singular values, bypassing the complex…
A frequently occurring challenge in experimental and numerical observation is how to resolve features, such as spectral peaks - with center, width, height - and derivatives from measured data with unavoidable noise. Therefore, we develop a…
We study the spectral function of the 2D Hubbard model using cluster perturbation theory, and the density matrix renormalization group as a cluster solver. We reconstruct the two-dimensional dispersion at, and away from half-filling using…
By following the conventional similarity renormalization group (SRG) expansion of the Dirac equation developed in [J.-Y. Guo, Phys. Rev. C \textbf{85}, 021302 (2012)], we work out the analytic expression of the ${1}/{M^4}$ order and verify…
For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the…
We study the dynamical density matrix renormalization group (DDMRG) and time-dependent density matrix renormalization group (td-DMRG) algorithms in the ab initio context, to compute dynamical correlation functions of correlated systems. We…
We consider the approximation of $B^T (A+sI)^{-1} B$ for large s.p.d. $A\in\mathbb{R}^{n\times n}$ with dense spectrum and $B\in\mathbb{R}^{n\times p}$, $p\ll n$. We target the computations of Multiple-Input Multiple-Output (MIMO) transfer…
We compare two approaches to compute a portion of the spectrum of dense symmetric definite generalized eigenproblems: one is based on the reduction to tridiagonal form, and the other on the Krylov-subspace iteration. Two large-scale…
We establish a multiresolution analysis on the space $\text{Herm}(n)$ of $n\times n$ complex Hermitian matrices which is adapted to invariance under conjugation by the unitary group $U(n).$ The orbits under this action are parametrized by…
We consider the solution of large stiff systems of ordinary differential equations with explicit exponential Runge--Kutta integrators. These problems arise from semi-discretized semi-linear parabolic partial differential equations on…
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…
An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y-junctions, systems with three arms of $n$ sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new…
We present recent results on in-medium spectral functions of vector and axial-vector mesons, the electromagnetic (EM) spectral function and dilepton rates using the Functional Renormalization Group (FRG) approach. Our method is based on an…
Explicitly correlated methods, such as the transcorrelated method which shifts a Jastrow or Gutzwiller correlator from the wave function to the Hamiltonian, are designed for high-accuracy calculations of electronic structures, but their…
We propose new iterative methods for computing nontrivial extremal generalized singular values and vectors. The first method is a generalized Davidson-type algorithm and the second method employs a multidirectional subspace expansion…
Local three- and four-point correlators yield important insight into strongly correlated systems and have many applications. However, the nonperturbative, accurate computation of multipoint correlators is challenging, particularly in the…
The generalization of Density Matrix Renormalization Group (DMRG) approach as implemented in quantum chemistry, to the case of non-orthogonal orbitals is carefully analyzed. This generalization is attractive from the physical point of view…