Quantum rotational scattering of H<sub>2</sub> and its isotopologues with He
收藏资源简介:
Quantum close-coupling computations of the rotational quenching of H<sub>2</sub> and its isotopologues due to He impact are performed using a highly accurate potential energy surface. State-to-state cross sections are obtained in a wide range of collision energies between 10<sup>−5</sup> cm<sup>−1</sup> and 10<sup>4</sup> cm<sup>−1</sup>, and the theoretical rate coefficients are reported for temperatures ranging from 10<sup>−4</sup> K to 3000 K. Compared with previous studies, the well depth of the potential adopted in this study is larger, leading to stronger resonance effects in the cross sections of He-HD. The accurate potential was employed to investigate the isotope effects of H<sub>2</sub> in detail. The cross-section resonances shift towards lower collision energies and become stronger with increasing reduced mass. The calculated cross sections and rate coefficients of H<sub>2</sub> and its isotopic variants in collisions with He are provided to study the energy transfer in these systems.



