Polynomially filtered exact diagonalization method (POLFED) for large sparse matrices is
introduced. The algorithm finds an optimal basis of a subspace spanned by eigenvectors …

We study many-body localization (MBL) transition in disordered Floquet systems using a
polynomially filtered exact diagonalization (POLFED) algorithm. We focus on disordered …

Motivated by applications in quantum chemistry and solid state physics, we apply general
results from approximation theory and matrix analysis to the study of the decay properties of …

We describe the design and implementation of KSSOLV, a MATLAB toolbox for solving a
class of nonlinear eigenvalue problems known as the Kohn-Sham equations. These types of …

We describe an efficient implementation of an algorithm for computing selected elements of
a general sparse symmetric matrix A that can be decomposed as A= LDLT, where L is lower …

When combined with Krylov projection methods, polynomial filtering can provide a powerful
method for extracting extreme or interior eigenvalues of large sparse matrices. This general …

Solving the Kohn–Sham equation, which arises in density functional theory, is a standard
procedure to determine the electronic structure of atoms, molecules, and condensed matter …

Many problems of low-level computer vision and image processing, such as denoising,
deconvolution, tomographic reconstruction or superresolution, can be addressed by …

Density-functional theory (DFT) has revolutionized computer simulations in chemistry and
material science. A faithful implementation of the theory requires self-consistent calculations …

Vibrational configuration interaction theory is a common method for calculating vibrational
levels and associated IR and Raman spectra of small and medium-sized molecules. When …