Related papers: Configuration interaction calculation for the isot…
Short-range corrections to long-range selected configuration interaction calculations are derived from perturbation theory considerations and applied to harmonium (with two to six electrons for some low-lying states). No fitting to…
We present a review of recent works devoted to the variation of the fine structure constant alpha, strong interaction and fundamental masses. There are some hints for the variation in quasar absorption spectra, Big Bang nucleosynthesis, and…
We perform ab initio calculations of isotope shifts for isotopes of cesium (from A=123 to A=137) and francium (from A=207 to A=228). These calculations start from the relativistic Hartree-Fock method and make use of several techniques to…
A systematic study of energy spectra throughout the rare-earth region (even-even nuclei from $_{58}$Ce to $_{74}$W) is carried out in the framework of the interacting boson model (IBM), leading to an accurate description of the…
Background: Atomic spectral lines from different isotopes display a small shift in energy, commonly referred to as the line isotope shift. One of the components of the isotope shift is the field shift, which depends on the extent and the…
Alchemical transformations showed that perturbation theory can be applied also to changes in the atomic nuclear charges of a molecule. The alchemical path that connects two different chemical species involves the conceptualization of a…
Relativistic configuration-interaction calculations have been performed for the energy levels of the low-lying and core-excited states of beryllium-like argon, Ar$^{14+}$. These calculations include the one-loop QED effects as obtained by…
Even when starting with a very poor initial guess, the iterative configuration interaction (iCI) approach can converge from above to full CI very quickly by constructing and diagonalizing a small Hamiltonian matrix at each…
Vibrational energy transfer of the amide I mode of N-methylacetamide (NMA) is studied theoretically using the vibrational configuration interaction method. A quartic force field of NMA is constructed at the B3LYP/6-31G+(d) level of theory…
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…
Relativistic Hartree-Fock method together with many-body perturbation theory and configuration interaction techniques are used to calculate relativistic energy shifts for frequencies of the strong electric dipole transitions of C III, C IV,…
We predict the strong enhancement in the photoabsorption of small Mg clusters in the region of 4-5 eV due to the resonant excitation of the plasmon oscillations of cluster electrons. The photoabsorption spectra for neutral Mg clusters…
The theory of phase transitions is based on the consideration of "idealized" models, such as the Ising model: a system of magnetic moments living on a cubic lattice and having only two accessible states. For simplicity the interaction is…
The shift in chemical equilibria due to isotope substitution is often exploited to gain insight into a wide variety of chemical and physical processes. It is a purely quantum mechanical effect, which can be computed exactly using…
The reaction dynamics of axisymmetric deformed $^{24}$Mg + $^{24}$Mg collisions have been investigated systematically by an isospin-dependent quantum molecular dynamics (IDQMD) model. It is found that different deformations and orientations…
We calculate the light-induced collisional loss of laser-cooled and trapped magnesium atoms for detunings up to 50 atomic linewidths to the red of the ^1S_0-^1P_1 cooling transition. We evaluate loss rate coefficients due to both radiative…
We study the electron correlation effects in the calculations of isotope shifts in Na and Mg+ using the relativistic coupled-cluster method. The trends of the correlation effects are explicitly discussed and comparison of the present…
We calculate the shift, due to interatomic interactions, of an optical transition in an atomic Fermi gas trapped in an optical lattice, as in recent experiments of Campbell {\it et al.}, Science {\bf 324}, 360 (2009). Using a pseudospin…
We perform accurate calculations of the dependence of transition frequencies in two valence electron atoms and ions on a variation of the fine structure constant, alpha. The relativistic Hartree-Fock method is used with many-body…
Theories unifying gravity with other interactions suggest spatial and temporal variation of fundamental ``constants'' in the Universe. A change in the fine structure constant, alpha, could be detected via shifts in the frequencies of atomic…