Related papers: Projector augmented-wave method: an analysis in a …
Pair atomic density fitting (PADF) is a promising strategy to reduce the scaling with system size of quantum chemical methods for the calculation of the correlation energy like the direct random phase approximation (RPA) or second-order…
Eigenvector continuation is a computational method for parametric eigenvalue problems that uses subspace projection with a basis derived from eigenvector snapshots from different parameter sets. It is part of a broader class of…
Linear-array based photoacoustic images are reconstructed using the conventional delay-and-sum (DAS) beamforming method. Although the DAS beamformer is well suited for PA image formation, reconstructed images are often afflicted by noises,…
Density functional theory with linear combination of atomic orbitals (LCAO) basis sets is useful for studying large atomic systems, especially when it comes to computationally highly demanding time-dependent dynamics. We have implemented…
In this work we analyze the variational problem emerging from the Gutzwiller approach to strongly correlated systems. This problem comprises the two main steps: evaluation and minimization of the ground state energy $W$ for the postulated…
The projection of the eigenfunctions obtained in standard plane-wave first-principle calculations is used for analyzing atomic-orbital basis sets. The "spilling" defining the error in such a projection allows the evaluation of the quality…
We turn back to the well known problem of interpretation of the Schrodinger operator with the pseudopotential being the first derivative of the Dirac function. We show that the problem in its conventional formulation contains hidden…
In this article we study the reconstruction problem in TAT/PAT on an attenuating media. Namely, we prove a reconstruction procedure of the initial condition for the damped wave equation via Neumann series that works for arbitrary large…
Odd-dimensional Riemannian spaces that are non-orientable, but have a pin structure, require the consideration of the twisted adjoint representation of the corresponding pin group. It is shown here how the Dirac operator should be modified,…
Numerical modeling of electromagnetic waves is an important tool for understanding the interaction of light and matter, and lies at the core of computational electromagnetics. Traditional approaches to injecting and evolving electromagnetic…
Multispectral photoacoustic imaging (PAI) is an emerging imaging modality which enables the recovery of functional tissue parameters such as blood oxygenation. However, the underlying inverse problems are potentially ill-posed, meaning that…
The complete experiment problem in the truncated partial wave analysis of pseudoscalar meson photoproduction with suppressed t-channel exchanges is investigated. The focus is set to ambiguities of the group S observables with the…
$(\pi^-,K^+)$ hyperon production inclusive spectra with $p_\pi =1.2$ GeV/c measured at KEK on $^{12}$C and $^{28}$Si are analyzed by the semiclassical distorted wave model. Single-particle wave functions of the target nucleus are treated…
We present a computer program which solves the Schrodinger equation of the stationary states for an average nuclear potential of Woods-Saxon type. In this work, we take specifically into account triaxial (i.e. ellipsoidal) nuclear surfaces.…
In this paper, we consider a class of convex programming problems with linear equality constraints, which finds broad applications in machine learning and signal processing. We propose a new adaptive balanced augmented Lagrangian (ABAL)…
In this paper the salient features of the Plane Wave Expansion (PWE) method and the mixed variational technique are combined for the fast eigenvalue computations of arbitrarily complex phononic unit cells. This is done by expanding the…
We introduce a dual-wavelength Fourier ptychographic topography (FPT) method that extends the lambda/2 height-range limit of single-wavelength FPT. By reconstructing complex fields at two illumination wavelengths and exploiting their phase…
We consider pseudodifferential operators on functions on $\R^{n+1}$ which commute with the Euler operator, and can thus be restricted to spaces of functions homogeneous of some given degree. Their symbols can be regarded as functions on a…
The periodic standing-wave method for binary inspiral computes the exact numerical solution for periodic binary motion with standing gravitational waves, and uses it as an approximation to slow binary inspiral with outgoing waves. Important…
The paper is devoted to the solution of a weighted nonlinear least-squares problem for low-rank signal estimation, which is related to Hankel structured low-rank approximation problems. A modified weighted Gauss-Newton method, which uses…