Related papers: OD + CO -> D + CO2 Branching Kinetics Probed with …
The time-dependent restricted-active-space self-consistent-field (TD-RASSCF) method is formulated based on the TD variational principle. In analogy with the configuration-interaction singles (CIS), singles-and-doubles (CISD),…
Protonated molecular species have been proven to be abundant in the interstellar gas. This class of molecules is also pivotal for the determination of important physical parameters for the ISM evolution (e.g. gas ionisation fraction) or as…
The interpretation of water line emission from existing observations and future HIFI/Herschel data requires a detailed knowledge of collisional rate coefficients. Among all relevant collisional mechanisms, the rotational (de)excitation of…
Methods: The microscopic equations of H2-formation and protonation are integrated numerically over time in such a manner that the overall structures evolve self-consistently under benign conditions. Results: The equilibrium H2 formation…
We have used archival far-ultraviolet spectra from observations made by HST/STIS and FUSE to determine the column densities and rotational excitation temperatures for CO and H2, respectively, along the lines of sight to 23 Galactic O and B…
The article presents an improved theoretical description of dissociative recombination of HCO$^+$ and DCO$^+$ ions with a low energy electron. In the previous theoretical study (Phys. Rev. A {\bf 74}, 032707) on HCO$^+$, the vibrational…
Aims: Ices in dense star-forming cores contain the bulk of volatile molecules apart from H2 and thus represent a large fraction of dark cloud chemistry budget.To directly constrain the freeze-out profile of CO, the formation route of CO2…
We have studied the leptonic decay D^+_s to tau^+ nu_tau, via the decay channel tau^+ to e^+ nu_e anti-nu_tau, using a sample of tagged D_s^+ decays collected near the D^*_s D_s peak production energy in e^+ e^- collisions with the CLEO-c…
We present the time-dependent complete-active-space self-consistent-field (TD-CASSCF) method to simulate multielectron dynamics in ultrafast intense laser fields from the first principles. While based on multiconfiguration expansion, it…
Dual-comb spectroscopy (DCS) is useful for gas spectroscopy due to high potential of optical frequency comb (OFC). However, fast Fourier transform (FFT) calculation of a huge amount of temporal data spends significantly longer time than the…
The radicals HCO and CH$_3$ on carbon monoxide ice surfaces were simulated using density functional theory. Their binding energy on amorphous CO ice shows broad distributions, with approximative average values of 500 K for HCO and 200 K for…
Context: Chemical models of dense cloud cores often utilize the so-called pseudo-time-dependent approximation, in which the physical conditions are held fixed and uniform as the chemistry occurs. In this approximation, the initial…
The oxidation of CO on single Pd atoms anchored to MgO(100) surface oxygen vacancies is studied with temperature-programmed-reaction mass-spectrometry and infrared spectroscopy. In one-heating-cycle experiments CO$_2$, formed from O$_2$ and…
Carrier envelope phase (CEP) stabilized pulses of intense 800 nm light of 5 fs duration are used to probe the dissociation dynamics of dications of isotopically-substituted water, HOD. HOD$^{2+}$ dissociates into either H$^+$ + OD$^+$ or…
We calculate the temperature dependent condensate density $\rho^0 (T)$ of interacting bosons in three dimensions using the functional renormalization group (FRG). From the numerical solution of suitably truncated FRG flow equations for the…
To provide constraints on the chemical processes responsible for the observed columns of organic species, we used NOEMA to observe the sight line toward NRAO150 in the 2mm spectral window. We targeted the low excitation lines of o-H2CO…
Enabling control over a spontaneous dynamic process is a very complicated task in practice because of its statistical nature, and electro-optic (E-O) relaxation dynamic in a nematic liquid crystal (NLC) system is not an exception.…
The first observation of the $B^0_s \to D_s^{*\mp} K^{\pm}$ decay is reported using 3.0$fb^{-1}$ of proton-proton collision data collected by the LHCb experiment. The $D_s^{*\mp}$ mesons are reconstructed through the decay chain $D_s^{*\mp}…
We present Green Bank Telescope (GBT) observations of the 3(12)-3(13) (29 GHz) and 4(13)-4(14) (48 GHz) transitions of the H2CO molecule toward a sample of 23 well-studied star-forming regions. Analysis of the relative intensities of these…
Recently, many new excited states of heavy mesons have been discovered in recent experiments, including radially excited states. The production processes of these states from the $B_{(s)}$ meson have drawn significant interest. In this…