Erratum: Close coupling calculations on rotational excitation and inversion of NH3 by collisions with Ar [J. Chem. Phys. 97, 6460 (1992)]

1994 ◽  
Vol 100 (7) ◽  
pp. 5393-5395 ◽  
Author(s):  
G. C. M. van der Sanden ◽  
P. E. S. Wormer ◽  
A. van der Avoird ◽  
J. Schleipen ◽  
J. J. ter Meulen
Keyword(s):  
Chem Phys ◽  
Rotational Excitation ◽  
Close Coupling ◽  
And Inversion

Close coupling calculations on rotational excitation and inversion of NH3 by collisions with Ar

1992 ◽  
Vol 97 (9) ◽  
pp. 6460-6468 ◽  
Author(s):  
G. C. M. van der Sanden ◽  
P. E. S. Wormer ◽  
A. van der Avoird ◽  
J. Schleipen ◽  
J. J. ter Meulen
Keyword(s):  
Rotational Excitation ◽  
Close Coupling ◽  
And Inversion

Positron-molecule scattering at low and medium energies

1996 ◽  
Vol 74 (7-8) ◽  
pp. 420-425 ◽  
Author(s):  
A. S. Ghosh ◽  
T. Mukherjee
Keyword(s):  
Cross Sections ◽  
Laboratory Frame ◽  
Excitation Threshold ◽  
Rotational Excitation ◽  
Close Coupling ◽  
Intermediate Energies ◽  
Recent Developments ◽  
Molecule Scattering ◽  
Scattering Cross Sections ◽  
Threshold Energies

This review surveys the recent developments carried out by us on positron–molecule scattering at low and intermediate energies. The relative merits between the laboratory frame rotational close-coupling (rotational LFCC) and the adiabatic nuclei rotation models near the electronic and rotational excitation threshold energies are discussed. The importance of the use of the rotational LFCC model for polar molecules is also reviewed. The rovibrational LFCC and the adiabatic nuclei rovibration models are used to calculate the scattering cross sections for e+–H2 scattering. The results demonstrate the necessity of the inclusion of the vibrational motion dynamically in the theory.

Close-Coupling Studies of Rotational Excitation in H-H2Collisions

1973 ◽  
Vol 7 (3) ◽  
pp. 1198-1198
Author(s):  
E. F. Hayes ◽  
C. A. Wells ◽  
D. J. Kouri
Keyword(s):  
Rotational Excitation ◽  
Close Coupling

The rotational excitation of carbon monoxide by hydrogen atom impact

1975 ◽  
Vol 342 (1629) ◽  
pp. 191-207 ◽  
Keyword(s):  
Carbon Monoxide ◽  
Cross Sections ◽  
Rate Coefficients ◽  
Rotational Degree ◽  
Rotational Excitation ◽  
Body Frame ◽  
Hydrogen Atoms ◽  
Close Coupling ◽  
Coupling Methods ◽  
Low Energies

A quantal study is carried out of the rotational excitation of carbon monoxide in collision with hydrogen atoms. The interaction potential at short range is constructed semi-empirically and joined to the Buckingham potential at long range. The close-coupling formulation is used to assess the reliability of the fixed-nuclei approximation, which is developed in terms of the adiabatic theory of electron-molecule scattering. The applicability of two simplified close-coupling formulations, introduced by Rabitz and by McGuire & Kouri, is examined. We found that the fixed nuclei method is unpromising at low energies and time-consuming at high energies. The two simplified close-coupling methods are capable of providing results of useful accuracy. The similarity in formulation of the fixed-nuclei and one of the close-coupling methods, both of which are body-frame treatments, and the differences in their results show that the rotational degree of freedom must be treated rigorously. The method of Rabitz is economical, and we adopted it to calculate the energy dependent rotation excitation cross sections for the scattering of H + CO. The results are presented in the form of Maxwellian-averaged rate coefficients in the temperature range of 5-150 K.

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