Related papers: Saturated configuration interaction calculations f…
We perform large shell model calculations for Calcium isotopes in the full fp shell by using the realistic Kuo-Brown interaction. The Calcium isotopes are especially interesting because the nearest-neighbour spacing distribution P(s) of…
Large scale ab initio calculations of the electric contribution (i.e. the electric field gradient) to the electric quadrupole hyperfine interaction constants $B$ for the $5p~^2P_{3/2}$ state in $^{109}$Cd$^+$ ion and the $5s5p~^3P_{1,2}$…
Recently, a new approach for solving the three-body problem for (d,p) reactions in the Coulomb-distorted basis in momentum space was proposed. Important input quantities for such calculations are the scattering matrix elements for proton-…
A system of two or more quantum dots interacting with a dissipative plasmonic nanostructure is investigated in detail by using a cavity quantum electrodynamics approach with a model Hamiltonian. We focus on determining and understanding…
Optically-active solid-state systems such as self-assembled quantum dots, rare-earth ions, and color centers in diamond and SiC are promising candidates for quantum network, computing, and sensing applications. Although the nuclei in these…
Laser cooled and quantum degenerate atoms are widely being pursued as quantum simulators that may explain the behavior of strongly correlated material systems, and as the basis of today's most precise sensors. A key challenge towards these…
The recently developed semistochastic heat-bath configuration interaction (SHCI) method is a systematically improvable selected configuration interaction plus perturbation theory method capable of giving essentially exact energies for…
We calculate target-material responses for dark matter--electron scattering at the \textit{ab-initio} all-electron level using atom-centered gaussian basis sets. The all-electron effects enhance the material response at high momentum…
A new variational method for studying the equilibrium states of an interacting particles system has been proposed. The statistical description of the system is realized by means of a density matrix. This method is used for description of…
We study a means of creating multiparticle entanglement of neutral atoms using pairwise controlled dipole-dipole interactions in a three dimensional optical lattice. For tightly trapped atoms the dipolar interaction energy can be much…
Interaction cross section measurements in fixed-target scattering experiments are typically performed by measuring the attenuation of a beam of particles that is incident upon a target slab of material. A fully active sampling calorimeter,…
From celestial mechanics to quantum theory of atoms and molecules, perturbation theory has played a central role in natural sciences. Particularly in quantum mechanics, the amount of information needed for specifying the state of a…
An accurate description of electron correlation is one of the most challenging problems in quantum chemistry. The exact electron correlation can be obtained by means of full configuration interaction (FCI). A simple strategy for…
A large-scale full-configuration-interaction calculation based on Dirac-Coulomb-Breit (DCB) Hamiltonian is performed for the $2\,^1S_0$ and $2\,^3S_1$ states of helium. The operators of the normal and specific mass shifts are directly…
Correlated materials are known to display qualitatively distinct emergent behaviors at low energy. Conveniently, upon absorbing rapid quantum fluctuations, these rich low-energy behaviors can always be effectively described by dressed…
We study ground- and excited-state properties of all sd-shell nuclei with neutron and proton numbers 8 <= N,Z <= 20, based on a set of low-resolution two- and three-nucleon interactions that predict realistic saturation properties of…
Calculation of the energies, magnetic dipole hyperfine structure constants, E1 transition amplitudes between the low-lying states, and nuclear spin-dependent parity-nonconserving amplitudes for the ^2S_{1/2} - ^2D_{3/2,5/2} transitions in…
The integration of density functional theory (DFT) with machine learning enables efficient \textit{ab initio} electronic structure calculations for ultra-large systems. In this work, we develop a transfer learning framework tailored for…
Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…
Quantum computers are appealing for their ability to solve some tasks much faster than their classical counterparts. It was shown in [Aspuru-Guzik et al., Science 309, 1704 (2005)] that they, if available, would be able to perform the full…