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DOI | 10.1126/science.aam9550 |
Response to Comment on "Density functional theory is straying from the path toward the exact functional" | |
Medvedev, Michael G.1,2; Bushmarinov, Ivan S.3; Sun, Jianwei4; Perdew, John P.5,6; Lyssenko, Konstantin A.1 | |
2017-05-05 | |
发表期刊 | SCIENCE |
ISSN | 0036-8075 |
EISSN | 1095-9203 |
出版年 | 2017 |
卷号 | 356期号:6337 |
文章类型 | Editorial Material |
语种 | 英语 |
国家 | Russia; USA |
英文摘要 | Kepp argues in his Comment, among other concerns, that the atomic densities we have considered are not relevant to molecular bonding. However, this does not change the main conclusion of our study, that unconstrained fitting of flexible functional forms can make a density functional more interpolative but less widely predictive. |
领域 | 地球科学 ; 气候变化 ; 资源环境 |
收录类别 | SCI-E ; SSCI |
WOS记录号 | WOS:000400545700026 |
WOS类目 | Multidisciplinary Sciences |
WOS研究方向 | Science & Technology - Other Topics |
URL | 查看原文 |
引用统计 | |
文献类型 | 期刊论文 |
条目标识符 | http://119.78.100.173/C666/handle/2XK7JSWQ/195974 |
专题 | 地球科学 资源环境科学 气候变化 |
作者单位 | 1.AN Nesmeyanov Inst Organoelement Cpds RAS, Xray Struct Lab, Moscow 119991, Russia; 2.ND Zelinsky Inst Organ Chem RAS, Moscow 119991, Russia; 3.Yandex, Moscow 119021, Russia; 4.Univ Texas El Paso, Dept Phys, El Paso, TX 79968 USA; 5.Temple Univ, Dept Phys, Philadelphia, PA 19122 USA; 6.Temple Univ, Dept Chem, Philadelphia, PA 19122 USA |
推荐引用方式 GB/T 7714 | Medvedev, Michael G.,Bushmarinov, Ivan S.,Sun, Jianwei,et al. Response to Comment on "Density functional theory is straying from the path toward the exact functional"[J]. SCIENCE,2017,356(6337). |
APA | Medvedev, Michael G.,Bushmarinov, Ivan S.,Sun, Jianwei,Perdew, John P.,&Lyssenko, Konstantin A..(2017).Response to Comment on "Density functional theory is straying from the path toward the exact functional".SCIENCE,356(6337). |
MLA | Medvedev, Michael G.,et al."Response to Comment on "Density functional theory is straying from the path toward the exact functional"".SCIENCE 356.6337(2017). |
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