Related papers: Rovibrationally-Resolved Photodissociaton of SH$^+…
Absolute photoionization cross-section calculations are presented for Se$^+$ using large-scale close-coupling calculations within the Breit-Pauli and Dirac-Coulomb R-matrix approximations. The results from our theoretical work are compared…
Cross sections are presented for dissociative recombination and electron-impact vibrational excitation of the ArH+ molecular ion at electron energies appropriate for the interstellar environment. The R-matrix method is employed to determine…
The collision-energy resolved rate coefficient for dissociative recombination of HD+ ions in the vibrational ground state is measured using the photocathode electron target at the heavy-ion storage ring TSR. Rydberg resonances associated…
Radiative association processes leading to the formation of AgH in cold astrophysical environments are investigated for the first time using full quantum scattering theory. High accuracy potential energy curves and transition dipole moments…
This paper opens a series in which the photochemistry of the two lowest $\pi\sigma^*$ states of pyrrole and their interaction with each other and with the ground electronic state $\tilde{X}$ are studied using ab initio quantum mechanics.…
The photoelectron spectrum of water has been recorded in the vicinity of the ${\mathrm {\tilde A^+}}$ $\leftarrow$ $\tilde{\mathrm{X}}$ transition between 112 000 and 116 000 cm$^{-1}$ (13.89-14.38 eV). The high-resolution allowed the…
CH$_3^+$, a cornerstone intermediate in interstellar chemistry, has recently been detected for the first time by the James Webb Space Telescope. The photodissociation of this ion is studied here. Accurate explicitly correlated…
The non-relativistic three-body Schr\"odinger equation of the heteronuclear molecular ion HD$^+$ is solved in perimetric coordinates using the Lagrange-mesh method. Energies and wave functions of the four lowest vibrational bound or…
The photodissociation dynamics of N$_3^+$ excited from its $^3 \Sigma_{\rm g}^{-}$ ground to the first excited singlet and triplet states is investigated. Three dimensional potential energy surfaces for the $^1$A$'$, $^1$A$''$, and $^3$A$'$…
The latest molecular data - potential energy curves and Rydberg$/$valence interactions - characterizing the super-excited electronic states of CO are reviewed, in order to provide inputs for the study of their fragmentation dynamics.…
This thesis is divided into two parts, each of which supports constructing and using a lithium magneto-optical trap for cold collision studies: Part I: One outgoing channel of interest from cold collisions is the production of ion pairs. We…
Cross sections and rate coefficients for rovibronic excitation of the CH$^+$ ion by electron impact and dissociative recombination of CH$^+$ with electrons are evaluated using a theoretical approach combining an R-matrix method and…
The latest molecular data - potential energy curves and Rydberg-valence interactions - characterising the super-excited electronic states of BF are reviewed in order to provide the input for the study of their fragmentation dynamics.…
The predissociation dynamics of the vibrationless level of the first Rydberg state 6s (B 2E) state of CH3I has been studied by femtosecond-resolved velocity map imaging of both the CH3 and I photofragments. The kinetic energy distributions…
Processes that break molecular bonds are typically observed with molecules occupying a mixture of quantum states and successfully described with quasiclassical models, while a few studies have explored the distinctly quantum mechanical…
Multi-reference configuration interaction (MRCI) potential energy curves (PECs) and spin-orbit couplings for the X $^2\Pi$, A $^2 \Sigma^+$, 1 $^2 \Sigma^-$, 1 $^4 \Sigma^-$, and 1 $^4 \Pi$ states of OH are computed and refined against…
We report the measurement of the 1$^{1}\Sigma\longrightarrow$ 2$^{1}\Sigma$ transition of CaH$^+$ by resonance-enhanced photodissociation of CaH$^+$ that is co-trapped with laser-cooled Ca$^+$ . We observe four resonances that we assign to…
For the lithium dimer we calculate cross sections for absorption of radiation from the vibrational-rotational levels of the ground X [singlet Sigma g +] electronic state to the vibrational levels and continua of the excited A [singlet Sigma…
In our model the electron dynamics are described by a two-state approximation. This might appear a rough approximation since it neglects coupling through excited electronic states and ionization channels. However at high intensity (laser…
The absorption spectrum of CO$_2$ in the wavelength range 120\,nm --- 160\,nm is analyzed by means of quantum mechanical calculations performed using vibronically coupled PESs of five singlet valence electronic states and the coordinate…