HOME > Article > DetailCanonical-ensemble extended Lagrangian Born–Oppenheimer molecular dynamics for the linear scaling density functional theoryTeruo Hirakawa, Teppei Suzuki, David R Bowler, Tsuyoshi Miyazaki. Journal of Physics: Condensed Matter 29 [40] 405901. 2017.https://doi.org/10.1088/1361-648x/aa810d NIMS author(s)MIYAZAKI, TsuyoshiFulltext and dataset(s) on Materials Data Repository (MDR)Created at: 2017-09-15 21:17:08 +0900Updated at: 2024-04-30 05:45:05 +0900