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 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
Cite this
Information theoretic prior functions for large molecular systems. / Muckerman, James.
In: Journal of Physical Chemistry, Vol. 93, No. 1, 1989, p. 179-184.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Information theoretic prior functions for large molecular systems
AU - Muckerman, James
PY - 1989
Y1 - 1989
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=0001534107&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0001534107
VL - 93
SP - 179
EP - 184
JO - Journal of Physical Chemistry
JF - Journal of Physical Chemistry
SN - 0022-3654
IS - 1
ER -