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Adiabatic potential energy curves of the $^1\Sigma^+$ and $^1\Pi$ states of the LiH molecule have been calculated. They correlate asymptotically to atomic states, like 2s+1s, 2p+1s, 3s+1s, 3p+1s, 3d+1s, 4s+1s, 4p+1s and 4d+1s. Very good…

Chemical Physics · Physics 2017-10-11 P. Jasik , J. E. Sienkiewicz , J. Domsta , N. E. Henriksen

We have investigated the threshold of photodetachment of Li^- leading to the formation of the residual Li atom in the $2p ^2P$ state. The excited residual atom was selectively photoionized via an intermediate Rydberg state and the resulting…

Transport phenomena are studied for a binary (AB) alloy on a rigid square lattice with nearest-neighbor attraction between unlike particles, assuming a small concentration $c_v$ of vacancies $V$ being present, to which $A(B)$ particles can…

Statistical Mechanics · Physics 2007-05-23 A. De Virgiliis , K. Binder

Light-assisted reactive collisions between laser-cooled Ba+ ions and Rb atoms were studied in an ion-atom hybrid trap. The reaction rate was found to strongly depend on the electronic state of the reaction partners with the largest rate…

Atomic Physics · Physics 2015-06-12 Felix H. J. Hall , Mireille Aymar , Maurice Raoult , Olivier Dulieu , Stefan Willitsch

Our previous studies of dissociative recombination, and vibrational excitation/de-excitation of the BeH$^+$ ion, based on the multichannel quantum defect theory, are extended to collision energies above the dissociation threshold, taking…

We have computed ab inito cross sections for cold collisions of Rb atoms with OH radicals. We predict collision rate constants of order 10^{-11} cm^3/s at temperatures in the range 10-100 mK at which molecules have already been produced…

Atomic Physics · Physics 2009-11-13 M. Lara , J. L. Bohn , D. Potter , P. Soldan , J. Hutson

LaRh$_3$B$_2$ crystallizes in a layered structure where Rh atoms form a perfect Kagome lattice. The material shows superconductivity at $T_c \approx 2.6$~K\@ and no signature for density wave instabilities. We report our measurements of…

Charge-transfer cold Yb$^+$ + Rb collision dynamics is investigated theoretically using high-level {\it ab initio} potential energy curves, dipole moment functions and nonadiabatic coupling matrix elements. Within the scalar-relativistic…

We calculate the electron-energy loss spectrum and the optical conductivity for NaV$_{2}$O$_{5}$ using the standard Lanczos algorithm. The vanadium ions in NaV$_{2}$O$_{5}$ form a system of coupled ladders which can be described by a…

Strongly Correlated Electrons · Physics 2009-11-07 A. Huebsch , C. Waidacher , K. W. Becker , W. von der Linden

The dipolar dissociation of molecular oxygen due to 21-35 eV energy electron collision has been studied using the time sliced velocity map imaging technique. A rough estimation about the threshold of the process and the kinetic energy and…

Atomic and Molecular Clusters · Physics 2016-08-31 Pamir Nag , Dhananjay Nandi

The high resolution rovibronic line list of MgH+ molecular cation are presented in our work. The potential energy curves are calculated by the method of multireference configuration interaction plus Davidson correction (MRCI+Q) and…

Solar and Stellar Astrophysics · Physics 2024-01-03 Huagang Xiao , Tao Gao

The structural features of $^{10}$B are studied by analyzing the dissociation of nuclei of this isotope at an energy of 1 A GeV in nuclear track emulsion. The fraction of the $^{10}$B $\to$ 2He + H channel in the charge state distribution…

The independent atom ansatz of density functional theory yields an accurate analytical expression for dynamic correlation energy in the H$_{2}$ molecule: $E_{c} = 0.5(1 - \sqrt{2})(ab|ba)$ for the atom-additive self-consistent density $\rho…

Chemical Physics · Physics 2024-05-28 Alanna 'Lanie' Leung , Alexander V. Mironenko

We present a theoretical investigation of reactive and non-reactive collisions of Li and Rb atoms with C$_{2}^{-}$ molecular anions at low temperatures in the context of sympathetic cooling in hybrid trap experiments. Based on recently…

Chemical Physics · Physics 2020-08-26 M. Kas , J. Liévin , N. Vaeck , J. Loreau

The photodissociation cross section of the molecular ion HeH$^+$ was calculated within the Born-Oppenheimer approximation for a parallel, a perpendicular, and an isotropic orientation of the molecular axis with respect to the field,…

Atomic Physics · Physics 2015-05-13 Irina Dumitriu , Alejandro Saenz

Using the velocity map imaging technique, we studied and characterized the process of Dissociative Electron Attachment (DEA) in polyatomic molecules like Water, Hydrogen Sulphide, Ammonia, Methane, Formic Acid and Propyl Amine. We present…

Chemical Physics · Physics 2010-07-30 N. Bhargava Ram , V. S. Prabhudesai , E. Krishnakumar

Element- and site-specific resonant inelastic x-ray scattering spectroscopy (RIXS) is employed to investigate electron correlation effects in {$\rm NaV_2O_5$}. In contrast to single photon techniques, RIXS at the vanadium $L_3$ edge is able…

Strongly Correlated Electrons · Physics 2009-11-07 G. P. Zhang , T. A. Callcott , G. T. Woods , L. Lin , Brian Sales , D. Mandrus , J. He

Inelastic low-energy (0--1 eV) collisions of electrons with HeH$^+$ cations are treated theoretically, with a focus on the rovibrational excitation and dissociative recombination (DR) channels. In an application of {\it ab initio}…

Chemical Physics · Physics 2017-10-30 Roman Čurík , Chris H. Greene

We have calculated elastic and state-resolved inelastic cross sections for cold and ultracold collisions in the Rb($^1 S$) + OH($^2 \Pi_{3/2}$) system, including fine-structure and hyperfine effects. We have developed a new set of five…

Atomic Physics · Physics 2015-06-26 Manuel Lara , John L. Bohn , Daniel E. Potter , Pavel Soldán , Jeremy M. Hutson

We have experimentally studied dissociative recombination (DR) of electronically and vibrationally relaxed ArH$^+$ in its lowest rotational levels, using an electron--ion merged-beams setup at the Cryogenic Storage Ring. We report…