Path-Integral Molecular Dynamics Simulation for Water Anion Clusters of Various Sizes

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概要

• 論文の詳細を見る

• Small water molecule clusters to which an electron is attached have been investigated by path-integral molecular dynamics for electron. A solvated electron (interior state) and a dipole captured one (surface state) were obtained for large and small clusters, respectively, after producing several hundred clusters in various structures and sizes.

• 理論物理学刊行会の論文
• 2000-04-28

著者

• IKESHOJI Tamio

  Tohoku National Industrial Research Institute

• Ikeshoji T

  Tohoku National Industrial Research Institute

• Ikeshoji Tamio

  Tohoku National Industrial Research Institute (tniri)

関連論文

• Domain-Shifting Algorithm : A New Domain-Decomposition Scheme for Molecular Dynamics Simulations on Parallel Computers
• Car-Parrinello Simulation of Water at Supercritical Conditions
• How Atomic Clusters Change Their Structures between Icosahedron and fcc : Molecular Dynamics Simulation of LJ Particles
• Path-Integral Molecular Dynamics Simulation for Water Anion Clusters of Various Sizes

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