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