キュミュラント動力学：ゆらぎをあらわに取り扱う動力学理論

• 重田 育照

  大阪大学大学院基礎工学研究科

書誌事項

タイトル別名

• Cumulant Mechanics: An Explicit Treatment for Fluctuation on Dynamics

抄録

An extended dynamics method for classical and cumulant variables is formulated to take fluctuation effects into account directly. In particular, we have derived the coupled equations of motion (EOM) for the position, momentum, and second-order cumulants of the product of the momentum and position fluctuation operators for both quantum and classical regimes. The second-order quantal and classical cumulant dynamics have almost the same structure with proper initial conditions and more terms to describe friction for latter equations. We demonstrated that the present methods give the exact answer for the harmonic oscillator and are applied to analyze the dynamical quantum isotope effects on a model proton transfer reaction in a Guannine-Cytosine base pair and to obtain a thermal equilibrium state of 7-particles classical Morse cluster.

収録刊行物

• Molecular Science

  Molecular Science 7 (1), A0057-, 2013

  分子科学会

キーワード

• cumulant
• quantum mechanics
• statistical mechanics
• hierarchical equations
• extended dynamics

詳細情報

• CRID: 1390282680258339456
• NII論文ID: 130003369400
• DOI: 10.3175/molsci.7.a0057
• ISSN: 18818404
• 本文言語コード: ja
• データソース種別:
  • JaLC
  • Crossref
  • CiNii Articles
  • KAKEN
• 抄録ライセンスフラグ: 使用不可