Erlangen 2022 – scientific programme
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MO: Fachverband Molekülphysik
MO 6: Theory
MO 6.6: Talk
Tuesday, March 15, 2022, 11:45–12:00, MO-H7
Inelastic H2+H2, H2+HD and HD+HD collisions in the framework of a quantum-mechanical close-coupling approach — •Renat A. Sultanov — Odessa College, Department of Mathematics, 201 W. University Blvd., Odessa, Texas 79764, USA
Molecular energy transfer collisions such as H2+H2, H2+HD, H+H2/HD and HD+HD will be discussed and the results for the cross sections and thermal rate coefficients will be presented. Different H4 potential energy surfaces (PESs) have been applied in the framework of a pure quantum-mechanical close-coupling approach [1]. The hydrogen-hydrogen atomic and molecular collisions play an important role in the astrochemistry of the early universe. In the case of the HD collisions it would be necessary to modify existing pure hydrogen H4 PESs by shifting the center of mass of H2 to HD. It was done in the framework of two different methods [2, 3]. However, these alternative procedures can provide quite different results for the rotational energy transfer cross sections. Physical and geometrical reasons of these differences will be discussed in our presentation. One of our methods for H2-H2 potential modifications [2] have been applied in [4,5].
1. R. A. Sultanov et al., Chem. Phys. Lett. 436, 19 (2007).
2. R. A. Sultanov et al., AIP Advances 2, 012181 (2012).
3. R. A. Sultanov et al., J. Phys. B 49, 015203 (2016).
4. N. Balakrishnan et al., Astrophys. J. 866:95 (2018).
5 Y. Wan et al., MNRAS 488, 381 (2019).