相关论文: Fast configuration-interaction calculations for no…
High-precision calculations of the energy levels of the superheavy element Z=120 are presented. The relativistic Hartree-Fock and configuration interaction techniques are employed. The correlations between core and valence electrons are…
With new experimental information on nuclei far from stability being available, a systematic investigation of excitation energies and electromagnetic properties along the $N=10, 11, 12$ isotones and $Z=10, 11, 12$ isotopes is presented. The…
Present atomic theory provides accurate and reliable results for atoms with a small number of valence electrons. However, most current methods of calculations fail when the number of valence electrons exceeds four or five. This means that…
Large-scale relativistic configuration-interaction method combined with many-body perturbation theory is consistently applied to calculations of the energy levels of the ground and inner-L-shell excited states of berylliumlike ions in the…
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
The extraction of neutrino oscillation parameters often requires the unambiguous identification of the reaction mechanism to be used for the energy determination. The use of nuclear targets and of beams with broad energy distributions…
Fully-microscopic No-core Shell Model (NCSM) calculations of all stable $s$ and $p$ shell nuclei are used to determine realistic $NN$ interaction JISP16 describing not only the two-nucleon data but the binding energies and spectra of nuclei…
Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…
Energy levels, normal and specific mass shift parameters as well as electronic densities at the nucleus are reported for numerous states along the beryllium, boron, carbon, and nitrogen isoelectronic sequences. Combined with nuclear data,…
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This…
The calculation of interaction integrals is a bottleneck for the treatment of many-body quantum systems due to its high numerical cost. We conduct configuration interaction calculations of the few-electron states confined in III-V…
We present a method to calculate many-body states of interacting carriers in million atom quantum nanostructures based on atomistic tight-binding calculations and a combination of iterative selection of configurations and perturbation…
Introduction Theory of electromagnetic excitation and dissociation (Inelastic scattering at high energies: one-photon exchange, semiclassical approach and Glauber theory; Higher order electromagnetic effects, small xi-approximation)…
Past experiments about hydrogen absorption in niobium have revealed specific properties about interactions between interstitial hydrogen atoms. It has been reported that there are long-range attractive and short-range repulsive interactions…
We employ interactions from chiral effective field theory and compute the binding energies and low-lying excitations of calcium isotopes with the coupled-cluster method. Effects of three-nucleon forces are included phenomenologically as…
Neutral uranium (U I) is a very difficult atom for theoretical calculations due to a large number of valence electrons, six, strong valence-valence and valence-core correlations, high density of states, and relativistic effects.…
Ytterbium-171 is a versatile atomic species often used in quantum optics, precision metrology, and quantum computing. Consolidated atomic data is essential for the planning, execution, and evaluation of experiments. In this reference, we…
Excitation energies, oscillator strengths, and transition rates are calculated for (5d2+5d6s+6s2)--(5d6p+5d5f+6s6p) electric dipole transitions in Yb-like ions with nuclear charges Z ranging from 72 to 100. Relativistic many-body…
We present a comprehensive theoretical study of the electronic structures of the Yb atom and the Yb$_2$ molecule, respectively, focusing on their ground and lowest-lying electronically excited states. Our study includes various…
The radium atom is a promising system for studying parity and time invariance violating weak interactions. However, available experimental spectroscopic data for radium is insufficient for designing an optimal experimental setup. We…