Related papers: Relativistic configuration-interaction calculation…
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…
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,…
The Configuration Interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e+Be, e+Mg, e+Ca and e+Sr. These calculations were carried out in orbital spaces containing about…
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 differences between the experimental and the theoretically calculated binding energies in Relativistic Mean Field (RMF) approach have been calculated for a large number of odd-$Z$ nuclei from $A=47$ to 229. Neutron-proton (n-p)…
The description of nuclei starting from the constituent nucleons and the realistic interactions among them has been a long-standing goal in nuclear physics. In addition to the complex nature of the nuclear forces, with two-, three- and…
The cranked relativistic Hartree+Bogoliubov theory has been applied for a systematic study of the nuclei around 254No, the heaviest elements for which detailed spectroscopic data are available. The deformation, rotational response, pairing…
Starting from the Argonne V18 nucleon-nucleon (NN) interaction and using the Unitary Correlation Operator Method, a correlated interaction v_UCOM has been constructed, which is suitable for calculations within restricted Hilbert spaces. In…
Facilitated by a rigorous partitioning of a molecular system's orbital basis into two fundamental subspaces - a reference and an expansion space, both with orbitals of unspecified occupancy - we generalize our recently introduced many-body…
The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of isotope shifts for several well-known transitions in neutral magnesium. Relativistic normal and specific mass shift factors as well as…
We calculate excitation energies for low states of nobelium, including states with open $5f$ subshell. An efficient version of the many-electron configuration-interaction method for treating the atom as a sixteen external electrons system…
One of the open problems in nuclear structure is how to predict properties of finite nuclei from the knowledge of a bare nucleon-nucleon interaction of the meson-exchange type. We point out that a promising starting point consists in…
In parallel to the unified construction of relativistic Hamiltonians based solely on physical arguments [J. Chem. Phys. 160, 084111 (2024)], a unified implementation of relativistic wave function methods is achieved here via programming…
Relativistic energy shifts of the low energy levels of Fe have been calculated using the Dirac-Hartree-Fock and configuration interaction techniques. The results are to be used in the search for the space-time variation of the fine…
Applying a variational multiparticle-multihole configuration mixing method whose purpose is to include correlations beyond the mean field in a unified way without particle number and Pauli principle violations, we investigate pairing-like…
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…
Ultra-peripheral collisions (UPCs) of ions allow us to study photonuclear and two-photon interactions at energies above those available at fixed target accelerators. For heavy ions, the couplings are large enough so that multi-photon…
In a previous work (arXiv:2010.02027) we showed how the full configuration interaction (FCI) ground state energy can be obtained as a functional of an arbitrary reference wavefunction by means of a gradient descent or quasi-Newton…
The incorporation of the Breit interaction in atomic and molecular calculations is discussed in the framework of four-component all-electron and two-component relativistic effective core potential (RECP)formalisms. Contributions of the…
Precise calculations of core properties in heavy-atom systems which are described by the operators heavily concentrated in atomic cores, like to hyperfine structure and P,T-parity nonconservation effects, usually require accounting for…