Molecular Collisions. X. Restricted‐Distorted‐Wave–Born and First‐Order Sudden Approximations for Rotational Excitation of Diatomic Molecules

1969 ◽  
Vol 51 (6) ◽  
pp. 2439-2448 ◽  
Author(s):  
R. W. Fenstermaker ◽  
C. F. Curtiss ◽  
R. B. Bernstein
Keyword(s):  
Diatomic Molecules ◽  
Rotational Excitation ◽  
Distorted Wave ◽  
Molecular Collisions ◽  
First Order

Multi-channel distorted-wave Born approximation for rovibrational transition rates in molecular collisions

2021 ◽  
Vol 155 (3) ◽  
pp. 034105
Author(s):  
Taha Selim ◽  
Arthur Christianen ◽  
Ad van der Avoird ◽  
Gerrit C. Groenenboom
Keyword(s):  
Born Approximation ◽  
Transition Rates ◽  
Distorted Wave ◽  
Distorted Wave Born Approximation ◽  
Molecular Collisions

INFLUENCE OF VIBRATION–ROTATION INTERACTION ON THE INTENSITIES OF PURE ROTATION LINES OF DIATOMIC MOLECULES

1956 ◽  
Vol 34 (11) ◽  
pp. 1119-1125 ◽  
Author(s):  
Robert Herman ◽  
Robert J. Rubin
Keyword(s):  
Line Intensity ◽  
Anharmonic Oscillator ◽  
Diatomic Molecules ◽  
Potential Energy Function ◽  
Complete Agreement ◽  
Contact Transformation ◽  
First Order ◽  
Pure Rotation ◽  
Rotation Line ◽  
Vibration Rotation

The magnitude of the effect of the vibration–rotation interaction on the intensities of pure rotation lines of diatomic molecules has been calculated for two different molecular models, the anharmonic oscillator and the rotating Morse or Pekeris oscillator. The intensity correction for the anharmonic oscillator has been obtained by adapting the contact transformation formalism for calculating second-order corrections to the energy to the calculation of first-order corrections to the matrix elements of the electric moment as suggested by H. H. Nielsen. The correction to the line intensity for vibrationless transitions of the anharmonic oscillator is found to be[Formula: see text]The results obtained here are also in complete agreement, to first order, with the results obtained earlier by Herman and Wallis for the 1–0 and 2–0 vibration–rotation line intensities. In the case of the Pekeris or rotating Morse oscillator the correction to the pure rotation line intensity is of the same form as above, namely,[Formula: see text]but exhibits minor differences which can be explained in terms of the difference in the vibrational potential energy function in the two cases.

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