Many-body effects in nonadiabatic molecular theory for simultaneous determination of nuclear and electronic wave functions: Ab initio NOMO/MBPT and CC methods

Hiromi Nakai*, Keitaro Sodeyama

*この研究の対応する著者

研究成果: Article査読

84 被引用数 (Scopus)

抄録

The ab initio nuclear orbital molecular orbital/many-body perturbation theory (NOMO/MBPTn), CCD, and BD methods to treat many-body effects in the non-BO molecular theory were developed. Thus, both algebraic and diagrammatic formulations were proposed. From the analysis of the numerical results by the NOMO/MBPT calculations, the electron-nucleus correlation was found to be more important than the nucleus-nucleus one.

本文言語English
ページ(範囲)1119-1127
ページ数9
ジャーナルJournal of Chemical Physics
118
3
DOI
出版ステータスPublished - 2003 1月 15

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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