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The Mori formalism, a critical discussion of its use in representing far infrared and microwave absorptions

โœ Scribed by G.J. Evans; M.W. Evans


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
472 KB
Volume
45
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


The three variable Mori formalism for molecular dynamics in the fluld state is evaruated using some extensive data of Gcrschel's on three strongly dipohu symmetric tops in the microwave and far infrared region of the electromagnetic spectrum. It is found that the use of loss and power absorption coefficients can lead to misleading results when theory and expcrimcnt are compared and it is csscntial in general to get the data over the whole frequency range of interest. Using this procedure it is found that the second memcry function of the Mori continued fraction is difficult to approximate satisfactorily with a simple decay (such as an exponential) and it is unlikely that successive mempry functions of the total orientational correlation function are simpler functions of time than the latter.