Numerical comparison between electronically adiabatic and diabatic representations for collinear atom–diatom collisions
Within the framework of quantum coupled-channel calculations on nonreactive atom–diatom collision systems involving two electronic potential surfaces, we test the electronically adiabatic repres...
Within the framework of quantum coupled-channel calculations on nonreactive atom–diatom collision systems involving two electronic potential surfaces, we test the electronically adiabatic repres...
Nonlinear hyperbolic theory of thermal waves in metals
A closed-form solution for cylindrical thermal waves in metals is given based on the nonlinear hyperbolic system of energy conservation and heat flux relaxation equations. It is shown that heat releas...
A closed-form solution for cylindrical thermal waves in metals is given based on the nonlinear hyperbolic system of energy conservation and heat flux relaxation equations. It is shown that heat releas...
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The applicability of the effective close-coupling approximation of Rabitz and the centrifugal decoupling approximation of McGuire and Kouri is examined for a system which models the rotational excitation of molecular nitrogen in collisions with helium atoms. For small values of the rotational quantum number both methods are more accurate for total elastic scattering cross sections than for inelastic and neither is capable of providing reliable inelastic cross sections close to the rotational threshold. Agreement with the close-coupling cross sections improves with increasing impact energy. The accuracy of the centrifugal decoupling approximation appears to be stable with respect to the magnitude of the repulsive anisotropy whereas the effective close-coupling method is sensitive to it and the approximation becomes inaccurate when the anisotropy is large. The detailed-balancing relationship is not satisfied by the effective close-coupling method and modifications that depend upon energy and upon the magnitude of the anisotropy are needed.
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BibSonomy
ERRATUM
- Erratum: Approximations for the rotational excitation of molecules by atoms
Shih-I Chu et al.
J. Chem. Phys. 64, 3085 (1976)
KEYWORDS and PACS
HELIUM,
NITROGEN,
ATOM&minus,
MOLECULE COLLISIONS,
ENERGY TRANSFER,
ROTATIONAL STATES,
CROSS SECTIONS
- 34.50.Ez
Atomic and molecular collision processes and interactions Inelastic scattering of atoms and molecules Rotational and vibrational energy transfer - YEAR: 1975
PUBLICATION DATA
0021-9606 (print)
1089-7690 (online)
AIP
REFERENCES (11)
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- A. M. Arthurs and A. Dalgarno,
Proc. R. Soc. A 256, 540 (1960) . - D. M. Chase, Phys. Rev. 104, 838 (1956);
- H. Rabitz, J. Chem. Phys. 57, 1718 (1972);
- R. T. Pack, J. Chem. Phys. 60, 633 (1974);
- S. I. Chu and A. Dalgarno,
Proc. R. Soc. A 342, 191 (1975) . - S. I. Chu (to be published);
- T. P. Tsien and R. T. Pack,
Chem. Phys. Lett. 6, 54, 400 (1970) . - A. C. Allison,
J. Comput. Phys. 6, 378 (1970) . - R. B. Walker and J. C. Light,
Chem. Phys. 7, 84 (1975) . - G. Zarur and H. Rabitz, J. Chem. Phys. 60, 2057 (1974).
- D. J. Kouri and P. McGuire,
Chem. Phys. Lett. 29, 410 (1974) .
