Potential energy surfaces of supercooled water: Intrabasin and interbasin structures explored by quenching, normal mode excitation, and basin hopping

Hideki Tanaka

    Research output: Contribution to journalArticlepeer-review

    9 Citations (Scopus)

    Abstract

    The potential energy surfaces of supercooled water were investigated, by using the steepest descent quenching and the normal mode excitation techniques. The root mean square distance in the 298 K to 173 K temperature range was found to be larger than the corresponding harmonic oscillator system. The basin hopping technique was also used for examining the potential energy surfaces, to obtain lower energy configurations with a random and high energy molecular arrangement.

    Original languageEnglish
    Pages (from-to)11202-11211
    Number of pages10
    JournalJournal of Chemical Physics
    Volume113
    Issue number24
    DOIs
    Publication statusPublished - Dec 1 2000

    ASJC Scopus subject areas

    • Physics and Astronomy(all)
    • Physical and Theoretical Chemistry

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