Quantum solvent and solute effects in the infrared vibrational echo

Ryo Akiyama, Roger F. Loring

研究成果: Contribution to journalArticle査読

10 被引用数 (Scopus)

抄録

The infrared echo measurement distinguishes among vibrational line broadening processes according to their time scales. Rigorous computation of the echo signal for a realistic model requires quantum dynamical calculations for large anharmonic systems. The challenges posed by such calculations motivate the use of classical mechanical or semiclassical approximations. The application of such approaches to compute the vibrational echo signal depends on the nature and magnitude of quantum effects on the echo observable. We quantify these effects for a generic model of an anharmonic oscillator coupled to a harmonic solvent in the regimes of classical solvent and classical solute, classical solvent and quantum solute, and quantum solvent and quantum solute.

本文言語英語
ページ(範囲)8024-8028
ページ数5
ジャーナルJournal of Physical Chemistry A
107
40
DOI
出版ステータス出版済み - 10 9 2003
外部発表はい

All Science Journal Classification (ASJC) codes

  • 物理化学および理論化学

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