3 papers
physics.chem-ph2024
On Mixed Quantum/Classical Theory for Rotationally Inelastic Scattering of Identical Collision Partners
Dulat Bostan, Bikramaditya Mandal, Dmitri Babikov
Mixed quantum/classical theory (MQCT) for the treatment of rotationally inelastic transitions during collisions of two identical molecules, described either as indistinguishable or…
quant-ph2024
Rate Coefficients for Rotational State-to-State Transitions in HO + H Collisions as Predicted by Mixed Quantum/Classical Theory (MQCT)
Carolin Joy, Dulat Bostan, Bikramaditya Mandal +1
A new database of collisional rate coefficients for transitions between the rotational states of HO collided with H background gas is developed. The goal is to expand over…
physics.chem-ph2023
Mixed Quantum/Classical Theory (MQCT) Approach to the Dynamics of Molecule-Molecule Collisions in Complex Systems
Carolin Joy, Bikramaditya Mandal, Dulat Bostan +2
We developed a general theoretical approach and a user-ready computer code that permit to study the dynamics of collisional energy transfer and ro-vibrational energy exchange in co…