Memory functions and rotational diffusion models for symmetric top molecules
โ Scribed by F. Bliot; E. Constant
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 385 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
2. Memory functions
Let us consider a polar fiuid in equifibriom. where each molecule is isolated from the others <free ratation hypothesis).
In this case. for ~nmctric role_ the autocorrelation function OFT of rhe mokcilar dipole moment is well known I&9].
If motion is classically described, tiz cf+k mu ment precesses around ihe tota! an~~'Jjat.mom:nU~r P (here fixed in space) of the mefecuit, ~-irk ;;n ~frrlar veiociry w = P/i8 [IO].
๐ SIMILAR VOLUMES
New methods for calculating free rotor memory functions and reorientational correlation functions with the Jdiffusion model are presented. The methods are much more efficient than previous methods, and have applications in other areas.
The present paper reports the derivation of a new theoretical model describing the rotation and vibration of a triatomic molecule. The new method is based on the MORBID (Morse Oscillatory Rigid Bender Internal Dynamics) method (P. Jensen, J. Mol. Spectross: 128, 478-501 (1988): P. Jensen. J. (hcm. S