Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules

Practical calculations of molecular inelastic collisions are computationally very demanding. Here the authors use full-dimensional quantum scattering to calculate energy transfer probabilities in inelastic collision between hydrogen fluoride molecules successfully checked by available experimental v...

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Autores principales: Dongzheng Yang, Jing Huang, Xixi Hu, Hua Guo, Daiqian Xie
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/be79b94376ce477ea06a10597fbd8b9e
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Sumario:Practical calculations of molecular inelastic collisions are computationally very demanding. Here the authors use full-dimensional quantum scattering to calculate energy transfer probabilities in inelastic collision between hydrogen fluoride molecules successfully checked by available experimental vibrational quenching rate.Practical calculations of molecular inelastic collisions are computationally very demanding. Here the authors use full-dimensional quantum scattering to calculate energy transfer probabilities in inelastic collision between hydrogen fluoride molecules successfully checked by available experimental vibrational quenching rate.