Dulat Bostan

May 21, 2024 | pubs.rsc.org | Bikramaditya Mandal |Dulat Bostan |Observatoire de Paris |Marie-Lise Dubernet

Mixed quantum/classical theory (MQCT) approach to the dynamics of molecule–molecule collisions in complex systems† We developed a general theoretical approach and a user-ready computer code that permit study of the dynamics of collisional energy transfer and ro-vibrational energy exchange in complex molecule–molecule collisions. The method is a mixture of classical and quantum mechanics.

Nov 5, 2023 | pubs.rsc.org | Dulat Bostan |Bikramaditya Mandal |Univ Rennes |KU Leuven

Mixed quantum/classical calculations of rotationally inelastic scattering in the CO + CO system: a comparison with fully quantum results† An updated version of the CO + CO potential energy surface from [R. Dawes, X. G. Wang and T. Carrington, J. Phys. Chem. A 2013, 117, 7612] is presented, that incorporates an improved treatment of the asymptotic behavior.

Mar 7, 2023 | pubs.rsc.org | Dmitri Babikov |Dulat Bostan |Bikramaditya Mandal

Description of quantum interference using mixed quantum/classical theory of inelastic scattering† Dulat Bostan, a   Bikramaditya Mandal, a   Carolin Joy a  and  Dmitri Babikov *a   Abstract Manifestation of the quantum interference effect in the oscillation of scattering cross section is explored using the N2 + O system as a case study.