RAQET: Large-scale two-component relativistic quantum chemistry program package

Masao Hayami, Junji Seino, Yuya Nakajima, Masahiko Nakano, Yasuhiro Ikabata, Takeshi Yoshikawa, Takuro Oyama, Kenta Hiraga, So Hirata, Hiromi Nakai. RAQET: Large-scale two-component relativistic quantum chemistry program package. Journal of Computational Chemistry, 39(27):2333-2344, 2018. [doi]

Abstract

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