Literature DB >> 19317535

Quantum calculations of H2-H2 collisions: from ultracold to thermal energies.

Goulven Quéméner1, Naduvalath Balakrishnan.   

Abstract

We present quantum dynamics of collisions between two para-H(2) molecules from low (10(-3) K) to high collision energies (1 eV). The calculations are carried out using a quantum scattering code that solves the time-independent Schrodinger equation in its full dimensionality without any decoupling approximations. The six-dimensional potential energy surface for the H(4) system developed by Boothroyd et al. [J. Chem. Phys. 116, 666 (2002)] is used in the calculations. Elastic, inelastic, and state-to-state cross sections as well as rate coefficients from T=1 K to 400 K obtained from our calculations are compared with available experimental and theoretical results. Overall, good agreement is obtained with previous studies.

Entities:  

Year:  2009        PMID: 19317535     DOI: 10.1063/1.3081225

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

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

Authors:  Dongzheng Yang; Jing Huang; Xixi Hu; Hua Guo; Daiqian Xie
Journal:  Nat Commun       Date:  2019-10-11       Impact factor: 14.919

2.  HeH+ Collisions with H2: Rotationally Inelastic Cross Sections and Rate Coefficients from Quantum Dynamics at Interstellar Temperatures.

Authors:  K Giri; L González-Sánchez; Rupayan Biswas; E Yurtsever; F A Gianturco; N Sathyamurthy; U Lourderaj; R Wester
Journal:  J Phys Chem A       Date:  2022-04-01       Impact factor: 2.944

3.  Wave Packet Approach to Adiabatic and Nonadiabatic Dynamics of Cold Inelastic Scatterings.

Authors:  Bayaer Buren; Maodu Chen
Journal:  Molecules       Date:  2022-05-03       Impact factor: 4.411

  3 in total

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