A non-orthogonal Kohn-Sham method using partially fixed molecular orbitals

Kazushi Sorakubo, Takeshi Yanai, Kenichi Nakayama, Muneaki Kamiya, Haruyuki Nakano, Kimihiko Hirao

研究成果: ジャーナルへの寄稿 › 学術誌 › 査読