Related papers: Atomic and molecular complex resonances from real …
The complex-scaling method can be used to calculate molecular resonances within the Born-Oppenheimer approximation, assuming the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will…
Electronic resonances are metastable states with finite lifetimes, encountered in processes such as photodetachment, electron transmission, and Auger decay. Resonances appear in Hermitian quantum mechanics as increased density of states in…
We show how complex resonance poles and threshold energies for systems in hadron physics can be accurately obtained by using a method based on the Pad\'{e}-approximant which was recently developed for the calculation of resonance poles for…
Electronic resonances are states that are unstable towards loss of electrons. They play critical roles in high-energy environments across chemistry, physics, and biology but are also relevant to processes under ambient conditions that…
The methods which are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of calculations with the Dirac-Coulomb-Breit…
The complex absorbing potential (CAP) technique is one of the commonly used Non-Hermitian quantum mechanics approaches for characterizing electronic resonances. CAP combined with various electronic structure methods has shown promising…
Quantum--mechanical multiple--well oscillators exhibit curious complex eigenvalues that resemble resonances in models with continuum spectra. We discuss a method for the accurate calculation of their real and imaginary parts.
Quantum computing has been increasingly applied in nuclear physics. In this work, we combine quantum computing with the complex scaling method to address the resonance problem. Due to the non-Hermiticity introduced by complex scaling,…
Broad resonances are a unique phenomenon in nuclear many-body systems. Theoretical studies usually involve the continuum degree of freedom, which drastically increases the model space of calculations, and may lead to non-convergence or…
We present a simple and unified classification of macroscopic electromagnetic resonances in finite arbitrarily inhomogeneous isotropic dielectric 3D structures situated in free space. By observing the complex-plane dynamics of the spatial…
The effect of autoionizing resonances in atomic systems and processes is reviewed. Theoretical framework for treating resonances in the coupled channel approximation using the R-matrix method, as well as approximations related to plasma…
Plasmonics has attracted much attention not only because it has useful properties such as strong field enhancement, but also because it reveals the quantum nature of matter. To handle quantum plasmonics effects, ab initio packages or…
Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…
We present a real-space adaptive-coordinate method, which combines the advantages of the finite-difference approach with the accuracy and flexibility of the adaptive coordinate method. The discretized Kohn-Sham equations are written in…
The eigenmodes of resonating structures, e.g., electromagnetic cavities, are sensitive to deformations of their shape. In order to compute the sensitivities of the eigenpair with respect to a scalar parameter, we state the Laplacian and…
We present an \emph{ab-initio} approach for computing the photoionization spectrum near autoionization resonances in multi-electron systems. While traditional (Hermitian) theories typically require computing the continuum states, which are…
Potential resonances are usually investigated either directly in the complex energy plane or indirectly in the complex angular momentum plane. Another formulation complementing these two is presented in this work. It is an indirect method…
We consider the numerical computation of resonances for metallic grating structures with dispersive media and small slit holes. The underlying eigenvalue problem is nonlinear and the mathematical model is multiscale due to the existence of…
For a nonrelativistic atom, which is minimally coupled to the quantized radiation field, resonances emerging from excited atomic eigenstates are constructed by an iteration scheme inspired by \cite{Pizzo2003} and…
We have applied the Finite Element Method to the self-consistent electronic structure calculations of molecules and solids for the first time. In this approach all the calculations are performed in "real space" and the use of non-uniform…