Abstract
Several general cases of information theoretic prior functions for large molecular systems are derived. These are intended to serve as examples for the deviation of prior functions appropriate for still other systems. General procedures are outlined for obtaining closed-form expressions for the desired prior functions in the continuous rigid-rotor, harmonic oscillator (RRHO) approximation and in the absence of angular momentum constraints, and these are applied to several cases of current experimental interest. Finally, a few cases of angular momentum deficient systems are treated.
| Original language | English |
|---|---|
| Pages (from-to) | 179-184 |
| Number of pages | 6 |
| Journal | Journal of Physical Chemistry |
| Volume | 93 |
| Issue number | 1 |
| Publication status | Published - 1989 |
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
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Muckerman, J. (1989). Information theoretic prior functions for large molecular systems. Journal of Physical Chemistry, 93(1), 179-184.