4.7 Article

Quantum calculations of H2-H2 collisions: From ultracold to thermal energies

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 130, 期 11, 页码 -

出版社

AMER INST PHYSICS
DOI: 10.1063/1.3081225

关键词

hydrogen neutral molecules; molecule-molecule collisions; potential energy surfaces; rotational-vibrational energy transfer; Schrodinger equation

资金

  1. NSF [PHY-0555565, ATM-0635715, AST-0607524]
  2. NASA [NNG06GC94G]
  3. Directorate For Geosciences
  4. Div Atmospheric & Geospace Sciences [0635715] Funding Source: National Science Foundation

向作者/读者索取更多资源

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 [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.

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