Automated error control in divide-and-conquer self-consistent field calculations. - Masato Kobayashi; Toshikazu Fujimori; Tetsuya Taketsugu (J. Comput. Chem., 2018)

Energy-based automatic determination of buffer region in the divide-and-conquer second-order Møller-Plesset perturbation theory. - Toshikazu Fujimori; Masato Kobayashi; Tetsuya Taketsugu (J. Comput. Chem., 2021)