Density functional calculations of Van der Waals clusters: NeN+2 as a case study

被引：0
|
作者：
Subramanian, V.
Venkatesh, K.
Prabha, D. M.
Ramasami, T.
机构：
来源：
Chemical Physics Letters | / 276卷 / 1-2期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [31] Nonlocal van der Waals Density Functional Made Simple
    Vydrov, Oleg A.
    Van Voorhis, Troy
    PHYSICAL REVIEW LETTERS, 2009, 103 (06)
  • [32] Van der Waals bonds in density-functional theory
    Engel, E.
    Hock, A.
    Dreizler, R.M.
    Physical Review A - Atomic, Molecular, and Optical Physics, 2000, 61 (03): : 325021 - 325025
  • [33] van der Waals interactions in density-functional theory
    Andersson, Y
    Langreth, DC
    Lundqvist, BI
    PHYSICAL REVIEW LETTERS, 1996, 76 (01) : 102 - 105
  • [34] Including screening in van der Waals corrected density functional theory calculations: The case of atoms and small molecules physisorbed on graphene
    Silvestrelli, Pier Luigi
    Ambrosetti, Alberto
    JOURNAL OF CHEMICAL PHYSICS, 2014, 140 (12):
  • [35] Time-Dependent Density Functional Theory Calculation of van der Waals Coefficient of Potassium Clusters
    Banerjee, Arup
    Chakrabarti, Aparna
    Ghanty, Tapan K.
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2009, 109 (06) : 1376 - 1384
  • [36] Time-Dependent Density Functional Theory Calculation of Van der Waals Coefficient of Metal Clusters
    Banerjee, Arup
    Harbola, Manoj K.
    Chakrabarti, Aparna
    Ghanty, Tapan K.
    COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 1: ADVANCES IN COMPUTATIONAL SCIENCE, 2009, 1108 : 114 - +
  • [37] Time-dependent density functional theory calculation of van der Waals coefficient of sodium clusters
    Banerjee, Arup
    Chakrabarti, Aparna
    Ghanty, Tapan K.
    JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (13):
  • [38] van der Waals density functional study of CO2 binding in zeolitic imidazolate frameworks
    Ray, Keith G.
    Olmsted, David
    He, Ning
    Houndonougbo, Yao
    Laird, Brian B.
    Asta, Mark
    PHYSICAL REVIEW B, 2012, 85 (08)
  • [39] Vanadium pentoxide (V2O5): A van der Waals density functional study
    Londero, Elisa
    Schroder, Elsebeth
    COMPUTER PHYSICS COMMUNICATIONS, 2011, 182 (09) : 1805 - 1809
  • [40] Perspectives on van der Waals Density Functionals: The Case of TiS2
    Krogel, Jaron T.
    Yuk, Simuck F.
    Kent, Paul R. C.
    Cooper, Valentino R.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (47): : 9867 - 9876
12345