ABINIT-MP Openシリーズの最新の開発状況について

Translated title of the contribution: Current Status of ABINIT-MP Open Series

望月 祐志, 秋永 宜伸, 坂倉 耕太, 渡邊 啓正, 加藤 幸一郎, 渡辺 尚貴, 奥脇 弘次, 中野 達也, 福澤 薫

    Research output: Contribution to journalArticlepeer-review


    <p>We have been developing an original program named ABINIT-MP for fragment molecular orbital (FMO) calculations. Various functionalities for interaction analyses, e.g. PIEDA (Pair Interaction Energy Decomposition Analysis), have been augmented in Revision 10 and Revision 15 of the ABINIT-MP Open Series Version 1. In this Letter, we briefly describe such new features.</p>
    Translated title of the contributionCurrent Status of ABINIT-MP Open Series
    Original languageJapanese
    Pages (from-to)129-131
    Number of pages3
    JournalJournal of Computer Chemistry, Japan
    Issue number3
    Publication statusPublished - 2019


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