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The extension of mixed quantum/classical theory (MQCT) to describe collisional energy transfer is developed for symmetric-top-rotor + linear-rotor system type and is applied to $ \rm ND_3 + \rm D_2 $. State-to-state transition cross…
Aims. This work reports radiative transition rates and electron impact excitation collision strengths for levels of the 3s23p, 3s3p2, 3s24s, and 3s23d configurations of Siii. Methods. The radiative data were computed using the…
We predict feasibility of the photoassociative formation of Sr_2 molecules in arbitrary vibrational levels of the electronic ground state based on state-of-the-art ab initio calculations. Key is the strong spin-orbit interaction between the…
We calculate the isotope independent Li$^+$-Li potential energy curves for the electronic ground and first excited states. Scattering phase shifts and total scattering cross section for the $^7$Li$^+$-$^7$Li collision are calculated with…
We present an implementation and benchmark of new approximations in multireference algebraic diagrammatic construction theory for simulations of neutral electronic excitations and UV/Vis spectra of strongly correlated molecular systems…
Excitation and charge transfer in low-energy O+H collisions is studied; it is a problem of importance for modelling stellar spectra and obtaining accurate oxygen abundances in late-type stars including the Sun. The collisions have been…
Low-energy E < 2 eV electron elastic collisions with Ge, Sn and Pb atoms yield stable excited Ge-, Sn- and Pb- anions. The recent Regge-pole methodology is used with Thomas-Fermi type potential incorporating the crucial core-polarization…
We present a theoretical study of rotationally elastic and inelastic collisions between molecular nitrogen ions and Rb atoms in the sub-Kelvin temperature regime prevalent in ion-atom hybrid trapping experiments. The cross sections for…
A five-dimensional coupled states (5D-CS) approximation is used to compute cross sections and rate coefficients for CO+H2 collisions. The 5D-CS calculations are benchmarked against accurate six-dimensional close-coupling (6D-CC)…
Calculations have been carried out for the vibrational quenching of excited H$_2$ molecules which collide with Li$^+$ ions at ultralow energies. The dynamics has been treated exactly using the well known quantum coupled-channel expansions…
Reliable tungsten spectroscopy is essential for modelling and diagnosing tungsten-containing plasmas, particularly in edge/divertor conditions where neutral tungsten (WI) is produced by sputtering and contributes to visible/near-UV…
The processes of electron excitation, capture, and ionization were investigated in proton collisions with atomic hydrogen in the initial $n=1$ and $n=2$ states at impact energies from 1 to 300 keV. The theoretical analysis is based on the…
Collision strengths for electron-impact of fine-structure level excitation within the ground term of Ne$^{+}$ and Ne$^{2+}$ are calculated using the Breit-Pauli, Intermediate Coupling Frame Transformation, and DARC $R$-matrix methods.…
Adopting explicitly correlated Kolos-Wolniewicz-type basis functions, the Born-Oppenheimer potential curves of a number of excited $\Sigma$ states of the hydrogen-antihydrogen system ($\bar{\rm H}$) were calculated for both, even and odd, Q…
Exploring inelastic and reactive collisions on the quantum level is a main goal of the developing field of ultracold chemistry. We present first experimental studies of inelastic collisions of metastable ultracold triplet molecules in the…
We review the study of dissociative recombination and ro-vibrational excitation of diatomic and small polyatomic molecular ions initiating complex organic molecules formation. In particular, we show how Multichannel Quantum Defect Theory…
The introduction of gases like nitrogen or neon for cooling the edge region of magnetically confined fusion plasmas has triggered a renewed interest in state selective cross sections necessary for plasma diagnostics by means of charge…
Variational calculations of excited electronic states are carried out by finding saddle points on the surface that describes how the energy of the system varies as a function of the electronic degrees of freedom. This approach has several…
Electron impact excitation collision strengths are calculated for all transitions among 113 levels of the 2s$^2$2p$^5$, 2s2p$^6$, 2s$^2$2p$^4$3$\ell$, 2s2p$^5$3$\ell$, and 2p$^6$3$\ell$ configurations of F-like W~LXVI. For this purpose…
Energy levels and electromagnetic properties of with $N=28\sim 30$ nuclides are studied in terms of a large-scale shell model calculation, which contains no newly adjusted parameters. The Kuo-Brown $G$-matrix interaction is shown to…