相关论文: Rovibrationally resolved photodissociation of HeH+
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…
Photodissociation cross sections for the SH$^+$ radical are computed from all rovibrational (RV) levels of the ground electronic state X$~^3\Sigma^-$ for wavelengths from threshold to 500~\AA. The five electronic transitions, $2~ ^3\Sigma^-…
We investigate the dynamics of the photodissociation of the hydrohelium cation HeH$^+$ by XUV radiation with the aim to establish a detailed comparison with a recent experimental work carried out at the FLASH free electron laser using both…
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 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,…
The opacity due to photodissociation of 24MgH is investigated in the atmospheres of cool stars. The lowest two electronic transitions A 2Pi -- X 2Sigma+ and B' 2Sigma+ -- X 2 Sigma+ are considered where the cross sections for the latter…
The matrix elements and energies needed to calculate vibrational-rotational state resolved cross sections and rate coefficients for radiative association of H and p and for photodissociation of H${}_2^+$ are presented for applications to…
Photoionization cross sections and rate coefficients have been calculated for all bound vibrational levels of the 1s$\sigma_{\mathrm{g}}$ state of H$_{2}^{+}$, HD$^{+}$, and D$_{2}^{+}$. The Born-Oppenheimer approximation is employed in our…
We illustrate some of the difficulties that may be encountered when computing photodissociation and radiative association cross sections from the same time-dependent approach based on wavepacket propagation. The total and partial…
Total and partial cross sections for breakup of ground rovibronic state of H$_2^+$by photon impact are calculated using the exact nonadiabatic nonrelativistic Hamiltonian without approximation. The converged results span six orders of…
Experiments are conducted to investigate the role of the avoided crossing seam in the photodissociation of H$_3^+$. Three-dimensional imaging of dissociation products is used to determine the kinetic energy release and branching ratio among…
We investigate the photodissociation of the metastable triplet state of HeH+ as well as its formation through the inverse process, radiative association. In models of astrophysical plasmas, HeH+ is assumed to be present only in the ground…
Accurate line lists for three molecules, BeH, MgH and CaH, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 2000K). A combination of…
We report quantum-mechanical close-coupling calculations for rotational state resolved cross sections for p-H2+HD collisions. The low temperature limit of p-H2+HD is investigated, which is of significant astrophysical interest in regard to…
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…
The wavelength and Einstein A coefficient are calculated for all rotation-vibration transitions of $^4$He$^1$H$^+$, $^3$He$^1$H$^+$, $^4$He$^2$H$^+$ and $^3$He$^2$H$^+$, giving a complete line list and the partition function for $^4$HeH$^+$…
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…
Collisional (de-)excitation of H$_{2}$ by helium plays an important role in the thermal balance and chemistry of various astrophysical environments, making accurate rate coefficients essential for the interpretation of observations of the…
We present quantum mechanical and quasiclassical trajectory calculations of cross sections for rovibrational transitions in ortho- and para-H_2 induced by collisions with He atoms. Cross sections were obtained for kinetic energies between…
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…