Related papers: Atomic and molecular complex resonances from real …
We present a set of efficient techniques in first-principles electronic-structure calculations utilizing the real-space finite-difference method. These techniques greatly reduce the overhead for performing integrals that involve…
Resonance plays critical roles in the formation of many physical phenomena, and several methods have been developed for the exploration of resonance. In this work, we propose a new scheme for resonance by solving the Dirac equation in…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…
With resonances treated as eigenstates of a non-Hermitian quantum Hamiltonian, the task of localization of the complex energy eigenvalues is considered. The paper is devoted to the reduced version of this task in which one only computes the…
We propose an adaptive planewave method for eigenvalue problems in electronic structure calculations. The method combines a priori convergence rates and accurate a posteriori error estimates into an effective way of updating the energy…
The boundary integral equation method ascertains explicit relations between localized surface phonon and plasmon polariton resonances and the eigenvalues of its associated electrostatic operator. We show that group-theoretical analysis of…
Complex absorbing potentials (CAPs) are artificial potentials added to electronic Hamiltonians to make the wave function of metastable electronic states square-integrable. This makes electronic-structure theory of resonances comparable to…
We examine perturbations of eigenvalues and resonances for a class of multi-channel quantum mechanical model-Hamiltonians describing a particle interacting with a localized spin in dimension $d=1,2,3$. We consider unperturbed Hamiltonians…
In this report, we discuss the measurement of the hadronic decay modes of resonances in relativistic heavy-ion collisions, emphasizing on RHIC results. The study of resonances can provide: (1) the yield and spectra of more particles with…
Electronic resonances are metastable states that can decay by electron loss. They are ubiquitous across various fields of science, such as chemistry, physics, and biology. However, current theoretical and computational models for resonances…
Semiclassical calculations using the Herman-Kluk initial value treatment are performed to determine energy eigenvalues of bound and resonance states of the collinear helium atom. Both the $eZe$ configuration (where the classical motion is…
Electronic structure methods for accurate calculation of molecular properties have a high cost that grows steeply with the problem size, therefore, it is helpful to have the underlying atomic basis functions that are less in number but of…
A universal energy eigenvalue equation is proposed in this paper. It is proven that the unique set of eigenfunctions or preferred basis exists for any non-isolated sub-system. Applying the new eigenvalue equation to the relative motion of a…
We present a calculation of the natural oscillation spectrum of inhomogeneous non-neutral ultracold plasma. The collective modes of these plasma oscillations are recorded in experiments as absorption resonances of radio-frequency electric…
The Complex Absorbing Potential (CAP) method is widely used to compute resonances in Quantum Chemistry, both for nonrelativistic and relativistic Hamiltonians. In the semiclassical limit $\hbar \to 0$ we consider resonances near the real…
Many photonic devices, such as photonic crystal slabs, cross gratings, and periodic metasurfaces, are biperiodic structures with two independent periodic directions, and are sandwiched between two homogeneous media. Many applications of…
We propose a novel numerical algorithm for computing the electronic structure related eigenvalue problem of incommensurate systems. Unlike the conventional practice that approximates the system by a large commensurate supercell, our…
We applied a relativistic configuration-interaction (CI) framework to the stabilization method as an approach for obtaining the autoionization resonance structure of heliumlike ions. In this method, the ion is confined within an…
In this paper, the energy eigenvalues of the two dimensional hydrogen atom are presented for the arbitrary Larmor frequencies by using the asymptotic iteration method. We first show the energy eigenvalues for the no magnetic field case…