文献
J-GLOBAL ID:202202232848606037
整理番号:22A0491918
ab initioシミュレーションからの振動スペクトルの計算コストと品質のベンチマーク【JST・京大機械翻訳】
Benchmarking the Computational Costs and Quality of Vibrational Spectra from Ab Initio Simulations
著者 (6件):
Taherivardanjani Shima
(Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry, Beringstr. 4, Bonn, D-53115, Germany)
,
Elfgen Roman
(Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry, Beringstr. 4, Bonn, D-53115, Germany)
,
Reckien Werner
(Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry, Beringstr. 4, Bonn, D-53115, Germany)
,
Suarez Estela
(Institute for Advanced Simulation, Juelich Supercomputing Centre, Forschungszentrum Juelich GmbH, Wilhelm-Johnen-Strasse, Juelich, D-52425, Germany)
,
Perlt Eva
(Otto Schott Institute of Materials Research, Faculty of Physics and Astronomy, Friedrich-Schiller-Universitaet Jena, Lobdergraben 32, Jena, D-07743, Germany)
,
Kirchner Barbara
(Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry, Beringstr. 4, Bonn, D-53115, Germany)
資料名:
Advanced Theory and Simulations
(Advanced Theory and Simulations)
巻:
5
号:
1
ページ:
e2100293
発行年:
2022年
JST資料番号:
W2665A
ISSN:
2513-0390
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)