Related papers: Dissociative Recombination of CF$^+$
We report on comprehensive laboratory studies of the K-shell dielectronic recombination (DR) resonances of Fe XXV - XXI ions that prominently contribute to the hard X-ray spectrum of hot astrophysical plasmas. By scanning a monoenergetic…
The rotational excitation of the three asymmetric-top molecular ion isotopologues H$_2$O$^+$, HDO$^+$, and D$_2$O$^+$ is studied theoretically using a combined framework of electron-molecule R-matrix scattering theory, multichannel…
A systematic global investigation of differential charge radii has been performed within the CDFT framework for the first time. Theoretical results obtained with conventional covariant energy density functionals and separable pairing…
We present a systematic understanding of the rotational structure of a long-range (vibrationally highly-excited) diatomic molecule. For example, we show that depending on a quantum defect, the least-bound vibrational state of a diatomic…
Our previous study on dissociative recombination of ground state SH$^+$ into $^2\Pi$ states of SH is extended by taking into account the contribution of $^4\Pi$ states recently explored by quantum chemistry methods. Multichannel quantum…
The dissociative recombination of the lowest rotational states of H3+ has been investigated at the storage ring TSR using a cryogenic 22-pole radiofrequency ion trap as injector. The H3+ was cooled with buffer gas at ~15 K to the lowest…
A series of Multichannel Quantum Defect Theory-based computations have been performed, in order to produce the cross sections of rotational transitions (excitations $N_{i}^{+}-2 \rightarrow$ $N_{i}^{+}$, de-excitations $N_{i}^{+}$…
Dielectronic recombination (DR) of few-electron ions has evolved into a sensitive spectroscopic tool for highly charged ions. This is due to technological advances in electron-beam preparation and ion-beam cooling techniques at heavy-ion…
Unified recombination cross sections and rates are computed for (e + Fe XVIII) --> Fe XVII including non-resonant and resonant (radiative and di-electronic recombination, RR and DR) processes in an ab initio manner with relativistic fine…
The geometric structure of the Rh$_8^+$ cation is investigated using a combination of far-infrared multiple photon dissociation spectroscopy and density functional theory (DFT) calculations. The energetic ordering of the different…
Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…
Cold dark matter (DM) scenario may be cured of several problems by involving self-interaction of dark matter. Viability of the models of long-range interacting DM crucially depends on the effectiveness of recombination of the DM particles,…
We discuss the recently proposed LDA'+DMFT approach providing consistent parameter free treatment of the so called double counting problem arising within the LDA+DMFT hybrid computational method for realistic strongly correlated materials.…
We present a charge and self-energy self-consistent computational scheme for correlated systems based on the Korringa-Kohn-Rostoker (KKR) multiple scattering theory with the many-body effects described by the means of dynamical mean field…
We have carried-out a series of multi-configuration Breit-Pauli AUTOSTRUCTURE calculations for the dielectronic recombination of Fe^{13+}. We present a detailed comparison of the results with the high-energy resolution measurements reported…
We show that the spectrum and eigenstates of open-shell multicharged atomic ions near the ionization threshold are chaotic, as a result of extremely high level densities of multiply excited electron states ($10^3 eV^{-1}$ in Au^{24+}) and…
Reduced-density-matrix-functional theory is applied to open-shell systems. We introduce a spin-restricted formulation by appropriately expressing approximate correlation-energy functionals in terms of spin-dependent occupation numbers and…
The spectra (rotational, rotation-vibrational or electronic) of diatomic molecules due to transitions involving only closed-shell ($^1\Sigma$) electronic states follow very regular, simple patterns and their theoretical analysis is usually…
A new approach has been used to explain the experimental data for the $^{12}$C+$^{12}$C system over a wide energy range in the laboratory system from 32.0 MeV to 126.7 MeV. This new coupled-channels based approach involves replacing the…
We have developed a general model for determining density-dependent effective dielectronic recombination (DR) rate coefficients in order to explore finite-density effects on the ionization balance of plasmas. Our model consists of…