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It is known that in many functions of banded, and more generally, sparse Hermitian positive definite matrices, the entries exhibit a rapid decay away from the sparsity pattern. This is in particular true for the inverse, and based on results for the invers ...
We describe a fast recursive algorithm for the solution of an unconstrained rational interpolation problem by exploiting the displacement structure concept. We use the interpolation data to implicitly define a convenient non-Hermitian structured matrix, an ...
We present a method for accelerating GW quasi-particle (QP) calculations. This is achieved through the introduction of optimal basis sets for representing polarizability matrices. First the real-space products of Wannier like orbitals are constructed and t ...
We descibe an alternative solution to the four-block problem using the method of (generalized) Schur analysis. We first reduce the general problem to a simpler one by invoking an inner-outer factorization with a block-diagonal inner matrix. Then using smal ...
Hyperpolarization of NMR-active nuclei is key to gather high quality spectra of rare species and insensitive isotopes. We have recently established that silica-based materials containing regularly distributed nitroxyl radicals connected to the silica matri ...
We present a detailed discussion of the evolution of a statistical ensemble of quantum mechanical systems coupled weakly to a bath. The Hilbert space of the full system is given by the tensor product between the Hilbert spaces associated with the bath and ...