文献
J-GLOBAL ID:202202271160728326
整理番号:22A0727020
多配置対密度汎関数理論による非断熱分子動力学【JST・京大機械翻訳】
Nonadiabatic Molecular Dynamics by Multiconfiguration Pair-Density Functional Theory
著者 (4件):
Calio Paul B.
(Department of Chemistry, Chicago Center for Theoretical Chemistry, James Franck Institute, University of Chicago, Illinois, United States)
,
Truhlar Donald G.
(Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, Minnesota, United States)
,
Gagliardi Laura
(Department of Chemistry, Center for Theoretical Chemistry, Pritzker School of Molecular Engineering, Chicago James Franck Institute, University of Chicago, Illinois, United States)
,
Gagliardi Laura
(Argonne National Laboratory, Illinois, United States)
資料名:
Journal of Chemical Theory and Computation
(Journal of Chemical Theory and Computation)
巻:
18
号:
2
ページ:
614-622
発行年:
2022年
JST資料番号:
W2328A
ISSN:
1549-9618
CODEN:
JCTCCE
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)