Related papers: Selected Configuration Interaction for Resonances
Resonance coupling in non-Hermitian systems can lead to exotic features, such as bound states in the continuum (BICs) and exceptional points (EPs), which have been widely employed to control the propagation and scattering of light. Yet,…
We develop an analytical method for the processing of electron spin resonance (ESR) spectra. The goal is to obtain the distributions of trapped carriers over both their degree of localization and their binding energy in semiconductor…
The spectroscopic properties of a single, tightly trapped atom are studied, when the electronic levels are coupled by three laser fields in an $N$-shaped configuration of levels, whereby a $\Lambda$-type level system is weakly coupled to a…
Dielectric metasurfaces can achieve strong light-matter interaction based on several types of collective (nonlocal) resonances, such as surface lattice resonances (SLRs) and quasi bound states in the continuum (quasi-BICs). Spectral…
Realizing multiply resonant photonic crystal cavities with large free spectral range is key to achieve integrated devices with highly efficient nonlinear response, such as frequency conversion, four-wave mixing, and parametric oscillation.…
We study several approaches to orbital optimization in selected configuration interaction plus perturbation theory (SCI+PT) methods, and test them on the ground and excited states of three molecules using the semistochastic heatbath…
Plasmon resonances play a pivotal role in enhancing light-matter interactions in nanophotonics, but their low-quality factors have hindered applications demanding high spectral selectivity. Even though symmetry-protected bound states in the…
Migration of planetary systems caused by the action of dissipative forces may lead the planets to be trapped in a resonance. In this work we study the conditions and the dynamics of such resonant trapping. Particularly, we are interested in…
COMPASS is a multi-purpose fixed-target experiment at the CERN SPS. One of its main goals is to probe the strong interaction at low energies by studying the excitation spectrum of light mesons in diffractive scattering reactions of a $190\…
The near-exact iCIPT2 approach for strongly correlated systems of electrons, which stems from the combination of iterative configuration interaction (iCI, an exact solver of full CI) with configuration selection for static correlation and…
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…
$J/\Psi$ particles are abundantly produced at the Beijing Electron Positron Collider (BEPC). The $J/\Psi$ decays provide an excellent place for studying $N^*$ resonances. For $J/\Psi\to\bar NN\pi$ and $\bar NN\pi\pi$, the $\pi N$ and…
We present a methodology to calculate radiative carrier capture coefficients at deep defects in semiconductors and insulators from first principles. Electronic structure and lattice relaxations are accurately described with hybrid density…
We study the performance and limitations of a coherent interface between collective atomic states and single photons. A quantized spin-wave excitation of an atomic sample inside an optical resonator is prepared probabilistically, stored,…
We present an embedding approach to treat local electron correlation effects in periodic environments. In a single, consistent framework, our plane-wave based scheme embeds a local high-level correlation calculation (here Coupled Cluster…
Coupling a single spin to high-frequency mechanical motion is a fundamental bottleneck of applications such as quantum sensing, intermediate and long-distance spin-spin coupling, and classical and quantum information processing. Previous…
Recent advances in selected CI, including the adaptive sampling configuration interaction (ASCI) algorithm and its heat bath extension, have made the ASCI approach competitive with the most accurate techniques available, and hence an…
The symmetry-adapted-cluster configuration interaction (SAC-CI) method is used for ab initio calculation of electronic structure of HCl+ and HBr+ molecular ions. Potential energy curves (PEC) are obtained for a series of low-lying…
The ability to approach a physical phenomenon and grasp its major importance is a remarkable quality of understanding. This paper presents a rather elegant and novel way of looking at the resonance phenomenon, which among others shares a…
The efficiency of the recently proposed iCIPT2 [iterative configuration interaction (iCI) with selection and second-order perturbation theory (PT2); J. Chem. Theory Comput. 16, 2296 (2020)] for strongly correlated electrons is further…