Related papers: Fano-ADC(2,2) method for electronic decay rates
We present an efficient implementation of the second-order two-component relativistic core-valence-separated algebraic diagrammatic construction method (CVS-ADC(2)) for core-excitation calculations. The approach employs state-averaged…
Charge-transfer excited states are highly relevant for applications in molecular electronics. However, the accurate calculation of these states in large systems is challenging since wave function methods are prohibitively expensive,…
Traditional reconstruction-based methods have struggled to achieve competitive performance in anomaly detection. In this paper, we introduce Denoising Diffusion Anomaly Detection (DDAD), a novel denoising process for image reconstruction…
Background: Coronary artery disease (CAD) remains one of the leading causes of mortality worldwide. Precise segmentation of coronary arteries from invasive coronary angiography (ICA) is critical for effective clinical decision-making.…
In a seminal article, Fano predicts that absorption of light occurs preferably with increase of angular momentum. Here we generalize Fano's propensity rule to laser-assisted photoionization, consisting of absorption of an…
We present a new approach to dielectric metasurface design that relies on a single resonator per unit cell and produces robust, high quality-factor Fano resonances. Our approach utilizes symmetry breaking of highly symmetric resonator…
For computational acoustics, schemes need to have low-dispersion and low-dissipation properties in order to capture the amplitude and phase of the wave correctly. To improve the spectral properties of the scheme, the authors have previously…
Here we propose a route to the high-Q perfect absorption of light by introducing the concept of a Fano anti-laser. Based on the drastic spectral variation of the optical phase in a Fano-resonant system, a spectral singularity for…
The Fano-Anderson chain consists of a linear lattice with a discrete side-unit, and exhibits Fano-resonant scattering due to coupling between the discrete states of the side-unit with the tight-binding continuum. We study…
We have developed a reduced-cost non-Dyson third-order algebraic diagrammatic construction theory for the electron-attachment problem based on state-specific frozen natural orbitals. Density fitting and truncated natural auxiliary functions…
In this paper, we demonstrate that the explicit ADER approach as it is used inter alia in [1] can be seen as a special interpretation of the deferred correction (DeC) method as introduced in [2]. By using this fact, we are able to embed…
Thermally activated delayed fluorescence (TADF) is a promising route towards high-efficiency, metal-free organic light-emitting diodes (OLEDs). However, the characterization of TADF kinetics in solid-state thin films is often complicated by…
Heterostructures are ubiquitous in many optoelectronic devices and as photocatalysts. One of the key features of a heterojunction is the proper band alignment between the two materials. Estimation of the correct relative band positions with…
Molecules that have been suggested to violate the Hund's rule, having a first excited singlet state (S$_1$) energetically below the triplet state (T$_1$), are rare. Yet, they hold the promise to be efficient light emitters. Their…
The goal of this work is to develop a task-agnostic feature upsampling operator for dense prediction where the operator is required to facilitate not only region-sensitive tasks like semantic segmentation but also detail-sensitive tasks…
We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron spectra of strongly correlated systems (MR-ADC(2)). The…
We present a new numerical scheme which combines the Spectral Difference (SD) method up to arbitrary high order with \emph{a-posteriori} limiting using the classical MUSCL-Hancock scheme as fallback scheme. It delivers very accurate…
Fano varieties are basic building blocks in geometry - they are `atomic pieces' of mathematical shapes. Recent progress in the classification of Fano varieties involves analysing an invariant called the quantum period. This is a sequence of…
We investigate a lateral semiconductor quantum dot with a large number of electrons in the semi-open Fano regime. In transport measurements we observe three stable series of Fano resonances with similar lineshapes. We present a simple model…
The couplings and decay widths of the proceses (1^+,2^+)->(0^-,1^-)+rho are studied with ligh-cone QCD sum rules in the leading order of heavy quark effective theory. These processes are employed to estimate the two pion transition widths…