A PERTURBATION APPROACH TO THE DENSITY FUNCTIONAL THEORY OF ADSORPTION

被引：3
|
作者：
GRIMSON, MJ
机构：
来源：
PHYSICS LETTERS A | 1983年 / 93卷 / 09期
关键词：
D O I：
10.1016/0375-9601(83)90635-7
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
引用
收藏
页码：479 / 482
页数：4
相关论文
共 50 条
  • [1] Perturbation approach to constrained electron transfer in density functional theory
    Carmona-Espindola, Javier
    Gazquez, Jose L.
    THEORETICAL CHEMISTRY ACCOUNTS, 2021, 140 (07)
  • [2] Perturbation approach to constrained electron transfer in density functional theory
    Javier Carmona-Espíndola
    José L. Gázquez
    Theoretical Chemistry Accounts, 2021, 140
  • [3] Metric wave approach to flexoelectricity within density functional perturbation theory
    Schiaffino, Andrea
    Dreyer, Cyrus E.
    Vanderbilt, David
    Stengel, Massimiliano
    PHYSICAL REVIEW B, 2019, 99 (08)
  • [4] Alchemical perturbation density functional theory
    von Rudorff, Guido Falk
    von Lilienfeld, O. Anatole
    PHYSICAL REVIEW RESEARCH, 2020, 2 (02):
  • [5] Projector augmented-wave approach to density-functional perturbation theory
    Audouze, Christophe
    Jollet, Francois
    Torrent, Marc
    Gonze, Xavier
    PHYSICAL REVIEW B, 2006, 73 (23)
  • [6] Variational density functional perturbation theory for metals
    Gonze, Xavier
    Rostami, Samare
    Tantardini, Christian
    PHYSICAL REVIEW B, 2024, 109 (01)
  • [7] Perturbation density functional theory for inhomogeneous fluids
    Zhou, Shiqi
    Jamnik, Andrej
    ACTA CHIMICA SLOVENICA, 2006, 53 (03) : 350 - 356
  • [8] A mathematical perspective on density functional perturbation theory
    Cances, Eric
    Mourad, Nahia
    NONLINEARITY, 2014, 27 (09) : 1999 - 2033
  • [9] General degeneracy in density functional perturbation theory
    Palenik, Mark C.
    Dunlap, Brett I.
    PHYSICAL REVIEW B, 2017, 96 (04)
  • [10] Generalized variational density functional perturbation theory
    Putrino, A
    Sebastiani, D
    Parrinello, M
    JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (17): : 7102 - 7109
12345