[Published online Journal of Computer Chemistry, Japan Vol.18, 129-131, by J-STAGE]
<Title:> ABINIT-MP Openシリーズの最新の開発状況について
<Author(s):> 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
<Corresponding author E-Mill:> fullmoon(at)rikkyo.ac.jp
<Abstract:> 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.
<Keywords:> キーワード：Fragment molecular orbital, FMO, ABINIT-MP, Interaction analysis, Correlation energy correction
<URL:> https://www.jstage.jst.go.jp/article/jccj/18/3/18_2019-0016/_article/-char/ja/
