文献
J-GLOBAL ID:202002256030635013
整理番号:20A2473529
スピン適合開殻時間依存密度汎関数理論の解析的エネルギー勾配【JST・京大機械翻訳】
Analytic energy gradients of spin-adapted open-shell time-dependent density functional theory
著者 (4件):
Wang Zikuan
(Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, People’s Republic of China)
,
Li Zhendong
(Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, People’s Republic of China)
,
Zhang Yong
(Qingdao Institute for Theoretical and Computational Sciences, Shandong University, Qingdao, Shandong 266237, People’s Republic of China)
,
Liu Wenjian
(Qingdao Institute for Theoretical and Computational Sciences, Shandong University, Qingdao, Shandong 266237, People’s Republic of China)
資料名:
Journal of Chemical Physics
(Journal of Chemical Physics)
巻:
153
号:
16
ページ:
164109-164109-17
発行年:
2020年
JST資料番号:
C0275A
ISSN:
0021-9606
CODEN:
JCPSA6
資料種別:
逐次刊行物 (A)
記事区分:
原著論文
発行国:
アメリカ合衆国 (USA)
言語:
英語 (EN)