Long-time behavior of orientation correlation functions
โ Scribed by T. Keyes; I. Oppenheim
- Publisher
- Elsevier Science
- Year
- 1974
- Weight
- 528 KB
- Volume
- 75
- Category
- Article
- ISSN
- 0031-8914
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We present an L L 2 method aimed at directly computing autocorrelation ยฒ < : functions โฝ โฝ for systems displaying long time recurrences. By making use of a 0 t w ลฝ .x Lanczos scheme, as previously proposed by Wyatt Chem. Phys. Lett. 121, 301 1985 , the method avoids explicit time propagation of the
The first five terms are analytically calculated for the Taylor expansion of symmetric and asymmetric top orientational correlation functions (OCFs) in the Keilson-Storer (KS) model. The three stages of the orientationai relaxation (OR) are established: (a) the free rotor stage, Ca) the stage which