Related papers: Energy level structure and transition data of Er$^…
We have calculated energy levels and lifetimes of 4f7 and 4f6 5d configurations of Gd IV using Hartree-Fock and configuration interaction methods. This allows us to reduce significantly the uncertainty of the theoretical determination of…
Energy levels, electric dipole transition probabilities and oscillator strengths in five times ionized silicon have been calculated in intermediate coupling. The present calculations were carried out with the general purpose…
The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction for the transport energy gaps associated with both…
Employing two state-of-the-art methods, multiconfiguration Dirac--Hartree--Fock and second-order many-body perturbation theory, highly accurate calculations are performed for the lowest 272 fine-structure levels arising from the $2s^{2}…
We report first ab initio relativistic correlation calculations of potential curves for ten low-lying electronic states, effective electric field on the electron and hyperfine constants for the ^3\Delta_1 state of cation of a heavy…
For interacting electrons in solids, Heisenberg's equation is used to calculate the distribution in energy of transitions induced by adding an electron to an atomic-like spin orbital. This is the projected density of transitions which…
To address the shortage of experimental data for electron spectra of triply-ionized rare earth elements we have calculated energy levels and lifetimes of 4f{n+1} and 4f{n}5d configurations of Nd IV (n=2), Pm IV (n=3), Sm IV (n=4), and Eu IV…
The ground state energy of the 2-D Wigner crystal is determined as a function of the thickness of the electron layer and the crystal structure. The method of evaluating the exchange-correlation energy is tested using known results for the…
We report a combined experimental and theoretical x-ray magnetic circular dichroism (XMCD) spectroscopy study at the Ir-$L_{2,3}$ edges on the Ir$^{5+}$ ions of the layered hybrid solid state oxide Sr$_2$Co$_{0.5}$Ir$_{0.5}$O$_4$ with the…
The electronic and energetic properties of the elementary building block, i.e. a five-membered atom ring (pentagon), of the Ge(110) surface was studied by scanning tunneling microscopy and spectroscopy at room temperature. The Ge(110)…
State-specific electronic structure theory provides a route towards balanced excited-state wave functions by exploiting higher-energy stationary points of the electronic energy. Multiconfigurational wave function approximations can describe…
In this paper, energy levels, radiative rates and lifetimes are reported for 11 F-like ions with 12 $\le$ Z $\le$ 23. Up to 198 levels (depending on the ion) have been considered which include 113 of the 2s$^2$2p$^5$, 2s2p$^6$,…
Accurate photodissociation cross sections have been computed for transitions from the X $^1\Sigma^+$ ground electronic state of CS to six low-lying excited electronic states. New ab initio potential curves and transition dipole moment…
High-accuracy Multi-Configuration Dirac-Hartree-Fock calculations of ionization energies with Configuration Interaction have been carried out for tungsten ions (W$^{2+}$ to W$^{71+}$) by means of the GRASP code. A comparison with other…
There have been discussions in the recent literature regarding the accuracy of the available electron impact excitation rates (equivalently effective collision strengths $\Upsilon$) for transitions in Be-like ions. In the present paper we…
We study low-lying states of even carbon isotopes in the range A = 10 - 20 within the large- scale no-core shell model (NCSM). Using several accurate nucleon-nucleon (NN) as well as NN plus three-nucleon (NNN) interactions, we calculate…
Energy levels, radiative rates and lifetimes are reported for the lowest 139 levels of three Ne-like ions, namely Cu~XX, Zn~XXI and Ga~XXII. These levels mostly belong to the 2s$^2$2p$^6$, 2s$^2$2p$^5$3$\ell$, 2s2p$^6$3$\ell$,…
A relativistic many-body method is developed to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations…
We performed an extensive study of configuration mixing between the doubly excited (doorway) states and complex multiply excited states of U$^{28+}$ near its ionization threshold. The detailed investigation of complex spectrum and analysis…
We report energy levels, radiative rates (A-values) and lifetimes for the astrophysically-important Be-like ion C III. For the calculations, 166 levels belonging to the $n \le$ 5 configurations are considered and the {\sc grasp}…