Current time in Korea 21:46 Jul 16 (Tue) Year 2019 KCS KCS Publications
KCS Publications
My Journal Log In Register
HOME > Search > Browsing(BKCS) > Archives

Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 22, Number 7
BKCSDE 22(7)
July 20, 2001 

 
Title
Numerical Calculation of Vibrational Transition Probability for the Forced Morse Oscillator by Use of the Anharmonic Boson Operators
Author
Chang Soon Lee, Yoo Hang Kim
Keywords
Vibrational transition probability, Forced Morse oscillator, Anharmonic Boson operators.
Abstract
The vibrational transition probability expressions for the forced Morse oscillator have been derived using the commutation relations of the anharmonic Boson operators. The formulation is based on the collinear collision model with the exponential repulsive potential in the framework of semiclassical collision dynamics. The sample calculation results for H2+ He collision system, where the anharmonicity is large, are in excellent agreement with those from an exact, numerical quantum mechanical study by Clark and Dickinson, using the reactance matrix. Our results, however, are markedly different from those of Ree, Kim and Shin's in which they approximate the commutation operator I。 as unity, the harmonic oscillator limit. We have concluded that the quantum number dependence in I。 must be retained to get accurate vibrational transition probabilities for the Morse oscillator.
Page
721 - 726
Full Text
PDF