Information theoretic prior functions for large molecular systems

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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 languageEnglish
Pages (from-to)179-184
Number of pages6
JournalJournal of Physical Chemistry
Volume93
Issue number1
Publication statusPublished - 1989

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Angular momentum
angular momentum
Rigid rotors
rigid rotors
harmonic oscillators
deviation
approximation

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 journalArticle

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