Nonlocal kinetic energy density functionals appropriate for finite systems and embedding simulations

被引：0
|
作者：
Mi, Wenhui [1 ]
Pavanello, Michele [1 ]
机构：
[1] Rutgers State Univ, Dept Chem, Newark, NJ USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2019年 / 257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：
606
引用
收藏
页数：1
相关论文
共 50 条
  • [1] KINETIC AND EXCHANGE ENERGY DENSITY FUNCTIONALS FOR FINITE SYSTEMS
    SAMANTA, A
    GHOSH, SK
    [J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1991, 24 (09) : 2257 - 2265
  • [2] Nonlocal kinetic-energy-density functionals
    GarciaGonzalez, P
    Alvarellos, JE
    Chacon, E
    [J]. PHYSICAL REVIEW B, 1996, 53 (15): : 9509 - 9512
  • [3] NONLOCAL EXCHANGE AND KINETIC-ENERGY DENSITY FUNCTIONALS FOR ELECTRONIC SYSTEMS
    GLOSSMAN, MD
    RUBIO, A
    BALBAS, LC
    ALONSO, JA
    [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, : 347 - 358
  • [4] Fully nonlocal kinetic energy density functionals:: A proposal and a general assessment for atomic systems
    Garcia-Aldeaa, David
    Alvarellos, J. E.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (07):
  • [5] Nonlocal kinetic energy density functionals for isolated systems obtained via local density approximation kernels
    Xu, Qiang
    Lv, Jian
    Wang, Yanchao
    Ma, Yanming
    [J]. PHYSICAL REVIEW B, 2020, 101 (04)
  • [6] NONLOCAL DENSITY FUNCTIONALS - COMPARISON WITH EXACT RESULTS FOR FINITE SYSTEMS
    PEDROZA, AC
    [J]. PHYSICAL REVIEW A, 1986, 33 (02): : 804 - 813
  • [7] Truncated nonlocal kinetic energy density functionals for simple metals and silicon
    Sun, Liang
    Li, Yuanbo
    Chen, Mohan
    [J]. Physical Review B, 2023, 108 (07)
  • [8] NONLOCAL EXCHANGE-ENERGY AND KINETIC-ENERGY DENSITY FUNCTIONALS FOR ELECTRONIC SYSTEMS - APPLICATION TO ATOMS AND IONS
    GLOSSMAN, MD
    RUBIO, A
    BALBAS, LC
    ALONSO, JA
    [J]. PHYSICAL REVIEW A, 1993, 47 (03): : 1804 - 1810
  • [9] NONLOCAL EXCHANGE AND KINETIC-ENERGY DENSITY FUNCTIONALS WITH CORRECT ASYMPTOTIC-BEHAVIOR FOR ELECTRONIC SYSTEMS
    GLOSSMAN, MD
    BALBAS, LC
    RUBIO, A
    ALONSO, JA
    [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1994, 49 (03) : 171 - 184
  • [10] Generalized nonlocal kinetic energy density functionals based on the von Weizsacker functional
    Garcia-Aldea, David
    Alvarellos, Jose E.
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (05) : 1756 - 1767
12345