Localization in the SCAN meta-generalized gradient approximation functional leading to broken symmetry ground states for graphene and benzene (vol 22, pg 19585, 2020)

被引：1
|
作者：
Zhang, Yubo [1 ,2 ,3 ,4 ]
Zhang, Wenqing [1 ,2 ,3 ,4 ]
Singh, David J. [5 ,6 ]
机构：
[1] Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Guangdong, Peoples R China
[2] Southern Univ Sci & Technol, Shenzhen Inst Quantum Sci & Engn, Shenzhen 518055, Guangdong, Peoples R China
[3] Southern Univ Sci & Technol, Guangdong Prov Key Lab Computat Sci & Mat Design, Shenzhen 518055, Guangdong, Peoples R China
[4] Southern Univ Sci & Technol, Shenzhen Municipal Key Lab Adv Quantum Mat & Devi, Shenzhen 518055, Guangdong, Peoples R China
[5] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA
[6] Univ Missouri, Dept Chem, Columbia, MO 65211 USA
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2020年 / 22卷 / 42期
关键词：
D O I：
10.1039/d0cp90239j
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：24813 / 24813
页数：1
相关论文
共 3 条
  • [1] Localization in the SCAN meta-generalized gradient approximation functional leading to broken symmetry ground states for graphene and benzene
    Zhang, Yubo
    Zhang, Wenqing
    Singh, David J.
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (35) : 19585 - 19591
  • [2] Accurate and Numerically Efficient r2SCAN Meta-Generalized Gradient Approximation (vol 11, pg 8208, 2020)
    Furness, James W.
    Kaplan, Aaron D.
    Ning, Jinliang
    Perdew, John P.
    Sun, Jianwei
    [J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020, 11 (21): : 9248 - 9248
  • [3] Meta-generalized gradient approximation: non-empirical construction and performance of a density functional (vol 87, pg 1017, 2007)
    Tao, J.
    Perdew, J. P.
    Ruzsinszky, A.
    Scuseria, G. E.
    Csonka, G. I.
    Staroverov, V. N.
    [J]. PHILOSOPHICAL MAGAZINE, 2008, 88 (02) : 277 - 278
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