151 citations · 238 across the 7 of their papers we have counts for
7 papers
Reaction Dynamics of the H + HeH He + H System
Meenu Upadhyay, Silvan Käser, Jayakrushna Sahoo +2
The reaction dynamics for the H + HeH He + H reaction in its electronic ground state is investigated using two different representations of the potential en…
Quantum-computing within a bosonic context: Assessing finite basis effects on prototypical vibrational Hamiltonian spectra
Joachim Knapik, Bruno Senjean, Benjamin Lasorne +1
Quantum computing has recently been emerging in theoretical chemistry as a realistic avenue meant to offer computational speedup to challenging eigenproblems in the context of stro…
A Smolyak algorithm adapted to a system-bath separation: application to an encapsulated molecule with large amplitude motions
Ahai Chen, David M. Benoit, Yohann Scribano +2
A Smolyak algorithm adapted to system-bath separation is proposed for rigorous quantum simulations. This technique combines a sparse grid method with the system-bath concept in a s…
C-type shock modelling -- the effect of new H-H collisional rate coefficients
A. V. Nesterenok, D. Bossion, Y. Scribano +1
We consider collisional excitation of H molecules in C-type shocks propagating in dense molecular clouds. New data on collisional rate coefficients for (de-)excitation of H…
The low temperature D + H HD + H reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study
Somnath Bhowmick, Duncan Bossion, Yohann Scribano +1
The reaction between D and H plays an important role in astrochemistry at low temperatures and also serves as a prototype for simple ion-molecule reaction. Its ground $\til…
A study of deuterated water in the low-mass protostar IRAS16293-2422
Audrey Coutens, Charlotte Vastel, Emmanuel Caux +6
The HDO/H2O ratio is a powerful diagnostic to understand the evolution of water from the first stages of star formation to the formation of planets and comets. Our aim is to determ…
Ortho-to-para ratio of interstellar heavy water
C. Vastel, C. Ceccarelli, E. Caux +65
Despite the low elemental deuterium abundance in the Galaxy, enhanced molecular D/H ratios have been found in the environments of low-mass star forming regions, and in particular t…