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To obtain the most accurate pulse arrival times from radio pulsars, it is necessary to correct or mitigate the effects of the propagation of radio waves through the warm and ionised interstellar medium. We examine both the strength of…
During the last two decades density functional based linear response approaches have become the de facto standard for the calculation of optical properties of small and medium-sized molecules. At the heart of these methods is the solution…
Although 3D shape matching and interpolation are highly interrelated, they are often studied separately and applied sequentially to relate different 3D shapes, thus resulting in sub-optimal performance. In this work we present a unified…
We propose a novel approach for optical flow estimation , targeted at large displacements with significant oc-clusions. It consists of two steps: i) dense matching by edge-preserving interpolation from a sparse set of matches; ii)…
Accurate modelling of the effective point spread function (ePSF) is essential for high-precision photometry and astrometry, particularly in undersampled imaging regimes. In this work, we build on a well-established ePSF modelling framework…
A method is presented for the determination of complex-valued compression and shear elastic moduli of polymers for ultrasound applications. The resulting values, which are scarcely reported in the literature, are found with uncertainties…
Multipole moments are the first order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory (DFT) prediction of molecular multipole moments thus characterizes errors in…
Based on our earlier works [Phys. Rev. B 75, 195127 (2007) & J. Chem. Phys. 128, 234703 (2008)], we propose a formally exact and numerically convenient approach to simulate time-dependent quantum transport from first-principles. The…
Numerous vector angular spectrum methods have been presented to model the vectorial nature of diffractive electromagnetic field, facilitating optical field engineering in polarization-related and high numerical aperture systems. However,…
Long-range charge-transfer excitations pose a major challenge for time-dependent density functional approximations. We show that spin-symmetry-breaking offers a simple solution for molecules composed of open-shell fragments, yielding…
Time-resolved photoconductivity is widely used to characterize non-equilibrium charge-carrier lifetime, impurity content, and solar cell efficiency in a broad range of semiconductors. Most measurements are limited to the detection of…
This paper introduces a constructive method for approximating relative continuum measurements in two-dimensional electrical impedance tomography based on data originating from either the point electrode model or the complete electrode…
In this work we present a new procedure to compute optical spectra including excitonic effects and approximated quasiparticle corrections with reduced computational effort. The excitonic effects on optical spectra are included by solving…
Standard flavors of density-functional theory (DFT) calculations are known to fail in describing anions, due to large self-interaction errors. The problem may be circumvented by using localized basis sets of reduced size, leaving no…
We present a fully parameter-free density-functional approach for the accurate description of optical absorption spectra of insulators, semiconductors and metals. We show that this can be achieved within time-dependent…
We present an efficient way to solve the Bethe-Salpeter equation (BSE), a model for the computation of absorption spectra in molecules and solids that includes electron-hole excitations. Standard approaches to construct and diagonalize the…
We formulate a time-dependent density functional theory (TDDFT) in terms of the density matrix to study ultrafast phenomena in semiconductor structures. A system of equations for the density matrix components, which is equivalent to the…
Assimilation of data into a fire-spread model is formulated as an optimization problem. The level set equation, which relates the fire arrival time and the rate of spread, is allowed to be satisfied only approximately, and we minimize a…
We review different computational methods for the calculation of photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses using time-dependent density-functional theory (TDDFT) that are suitable…
The influence of the quadrupole shape fluctuations on the dipole vibrations in transitional nuclei is investigated in the framework of the Instantaneous Shape Sampling Model, which combines the Interacting Boson Model for the slow…