Improved computation of sum frequency generation spectrum of the surface of water

研究成果: Article査読

60 被引用数 (Scopus)

抄録

The infrared-visible sum frequency generation (SFG) spectrum of the surface of water was calculated with significantly improved accuracy via the time-dependent formalism we have recently proposed. The revisions include molecular modeling of the OH stretching region, sampling statistics, and a treatment of boundary conditions. The calculated spectra show good agreement with recent experiments, allowing a detailed comparison and analysis.

本文言語English
ページ(範囲)3158-3163
ページ数6
ジャーナルJournal of Physical Chemistry B
110
7
DOI
出版ステータスPublished - 2006 2 23
外部発表はい

ASJC Scopus subject areas

  • 物理化学および理論化学
  • 表面、皮膜および薄膜
  • 材料化学

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