Rotational excitation in H2–H2 collisions: Close‐coupling calculations

作者: Sheldon Green

DOI: 10.1063/1.430752

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摘要: Rotational excitation in molecule−molecule collisions has been treated for the first time by accurate quantum close−coupling scattering calculations, employing an expansion basis set of two to three rotational levels each molecule and correctly accounting exchange identical particles. Elastic inelastic cross sections have computed para−para, ortho−ortho, para−ortho hydrogen molecules assuming intermolecular potential suggested previously. The accuracy recent ’’effective potential’’ calculations is demonstrated comparison with exact results.

参考文章(15)
George Zarur, Herschel Rabitz, Effective potential formulation of molecule‐molecule collisions with application to H2–H2 The Journal of Chemical Physics. ,vol. 60, pp. 2057- 2078 ,(1974) , 10.1063/1.1681316
C. F. Curtiss, J. O. Hirschfelder, R. B. Bird, Molecular theory of gases and liquids ,(1954)
Georgia Fisanick Englot, Herschel Rabitz, Dimensionality control of coupled scattering equations using partitioning techniques: The case of two molecules Physical Review A. ,vol. 10, pp. 2187- 2205 ,(1974) , 10.1103/PHYSREVA.10.2187
D Secrest, Theory of Rotational and Vibrational Energy Transfer in Molecules Annual Review of Physical Chemistry. ,vol. 24, pp. 379- 406 ,(1973) , 10.1146/ANNUREV.PC.24.100173.002115
A. K. McMahan, H. Beck, J. A. Krumhansl, Short-range interaction between hydrogen molecules Physical Review A. ,vol. 9, pp. 1852- 1864 ,(1974) , 10.1103/PHYSREVA.9.1852
H. Klar, Theory of scattering between two rigid rotors Zeitschrift für Physik A Hadrons and nuclei. ,vol. 228, pp. 59- 67 ,(1969) , 10.1007/BF01392434
A C Allison, A Dalgarno, The rotational excitation of molecular hydrogen Proceedings of the Physical Society. ,vol. 90, pp. 609- 614 ,(1967) , 10.1088/0370-1328/90/3/304
Kazuo Takayanagi, The Production of Rotational and Vibrational Transitions in Encounters between Molecules Advances in atomic and molecular physics. ,vol. 1, pp. 149- 194 ,(1965) , 10.1016/S0065-2199(08)60282-1
Roy G. Gordon, New Method for Constructing Wavefunctions for Bound States and Scattering The Journal of Chemical Physics. ,vol. 51, pp. 14- 25 ,(1969) , 10.1063/1.1671699