Related papers: Saturated configuration interaction calculations f…
We present an efficient method of inclusion of the core-valence correlations into the configuration interaction (CI) calculations. These correlations take place in the core area where the potential of external electrons is approximately…
Effective field theory techniques are used to describe the interaction of heavy hadrons in a model independent way. Predictability is obtained by exploiting the symmetries of QCD. Heavy hadron chiral perturbation theory is reviewed and used…
Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows…
Atomic nuclei can exhibit shape coexistence and multi-reference physics that enters in their ground states, and to accurately capture the ensuing correlations and entanglement is challenging. We address this problem by applying…
We predict large regions of the charge stability diagram using a multi-band and multi-electron configuration interaction model of a double quantum dot system. We account for many-body interactions within each quantum dot using full…
The combination of the configuration interaction method and all-order single-double coupled-cluster technique is used to calculate excitation energies, ionization potentials and static dipole polarizabilities of superheavy elements…
Rydberg excited states of molecules pose a challenge for electronic structure calculations because of their highly diffuse electron distribution. Even large and elaborate atomic basis sets tend to underrepresent the long-range tail, overly…
We show that the entropy of entanglement is sensitive to the coherent quantum phase transition between normal and super-radiant regions of a system of a finite number of three-level atoms interacting in a dipolar approximation with a…
Accurate {\it ab initio} calculations have been carried out to study the valence electron removal energies and oscillator strengths of astrophysically important electromagnetic transitions of quadruply ionized vanadium, $V^{4+}$. Many…
The interaction of ultrashort laser pulses with thin tungsten and tantalum films is investigated through the full-potential band-structure calculations. Our calculations show that at relatively low absorbed energies (the electron…
Converged results for E2 observables are notoriously challenging to obtain in ab initio no-core configuration interaction (NCCI) approaches. Matrix elements of the E2 operator are sensitive to the large-distance tails of the nuclear wave…
We carried out calculations of the energies and magnetic dipole hyperfine structure constants of the low-lying states of 233U^+ and 233U using two different approaches. With six valence electrons and a very heavy core, uranium represents a…
The study of highly charged electronic and muonic hydrogen-like ions, provides an intriguing way to probe the internal structure of their atomic nuclei. In this work, we use nuclear structure calculations to accurately calculate the…
Selected configuration interaction (sCI) methods including second-order perturbative corrections provide near full CI (FCI) quality energies with only a small fraction of the determinants of the FCI space. Here, we introduce both a…
The interacting shell model, a configuration-interaction method, is a venerable approach for low-lying nuclear structure calculations; but it is hampered by the exponential growth of its basis dimension as one increases the single-particle…
With the flourishing development of nanophotonics, Cherenkov radiation pattern can be designed to achieve superior performance in particle detection by fine-tuning the properties of metamaterials such as photonic crystals (PCs) surrounding…
We derive density-dependent corrections to the in-medium nucleon-nucleon interaction from the leading-order chiral three-nucleon force. To this order there are six distinct one-loop diagrams contributing to the in-medium nucleon-nucleon…
Quantum simulators employing cold atoms are among the most promising approaches to tackle quantum many-body problems. Nanophotonic structures are widely employed to engineer the bandstructure of light and are thus investigated as a means to…
Atomic properties of S-like W are evaluated through a state-of-the-art method, namely, the multi-configuration Dirac-Hartree-Fock (MCDHF) method combined with the relativistic configuration interaction (RCI) approach. The level energies,…
A combination of numerical and analytical methods is employed to study a one-dimensional chain of identical atoms with adsorbates. We show that the electron-mediated interaction energy between two impurities can change sign and magnitude…