ACRES: Adaptive coordinate real-space electronic structure.

被引：0
|
作者：
Modine, NA [1 ]
Zumbach, G [1 ]
Waghmare, UV [1 ]
Smith, GS [1 ]
Kaxiras, E [1 ]
机构：
[1] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1998年 / 215卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
282-PHYS
引用
收藏
页码：U223 / U223
页数：1
相关论文
共 50 条
  • [21] Real-space first-principles electronic structure of edge dislocations: NiAl
    Kontsevoi, OY
    Mryasov, ON
    Gornostyrev, YN
    Freeman, AJ
    Katsnelson, MI
    Trefilov, AV
    PHILOSOPHICAL MAGAZINE LETTERS, 1998, 78 (05) : 427 - 433
  • [22] Electronic structure of bilayer graphene: A real-space Green's function study
    Wang, Z. F.
    Li, Qunxiang
    Su, Haibin
    Wang, Xiaoping
    Shi, Q. W.
    Chen, Jie
    Yang, Jinlong
    Hou, J. G.
    PHYSICAL REVIEW B, 2007, 75 (08)
  • [23] Meshfree implementation for the real-space electronic-structure calculation of crystalline solids
    Jun, S
    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, 2004, 59 (14) : 1909 - 1923
  • [24] Real-space multigrid methods for large-scale electronic structure problems
    Bernholc, J
    Briggs, EL
    Sullivan, DJ
    Brabec, CJ
    Nardelli, MB
    Rapcewicz, K
    Roland, C
    Wensell, M
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1997, 65 (05) : 531 - 543
  • [25] Current trends in electronic structure:: Real-space, embedding and linear scaling techniques -: Preface
    Artacho, E
    Beck, TL
    Hernández, E
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2006, 243 (05): : 971 - 972
  • [26] Timesaving double-grid method for real-space electronic-structure calculations
    Ono, T
    Hirose, K
    PHYSICAL REVIEW LETTERS, 1999, 82 (25) : 5016 - 5019
  • [27] Real-space grid representation of momentum and kinetic energy operators for electronic structure calculations
    Ninno, Domenico
    Cantele, Giovanni
    Trani, Fabio
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2018, 39 (20) : 1406 - 1412
  • [28] Multipole-preserving quadratures for the discretization of functions in real-space electronic structure calculations
    Genovese, Luigi
    Deutsch, Thierry
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 17 (47) : 31582 - 31591
  • [29] Real-space tight-binding approach to electronic structure and stability in substitutional alloys
    Julien, JP
    Turchi, PEA
    Mayou, D
    COMPUTATIONAL MATERIALS SCIENCE, 2000, 17 (2-4) : 217 - 223
  • [30] Real-space subfemtosecond imaging of quantum electronic coherences in molecules
    M. Garg
    A. Martin-Jimenez
    M. Pisarra
    Y. Luo
    F. Martín
    K. Kern
    Nature Photonics, 2022, 16 : 196 - 202
12345