VAN DER WAALS INTERACTIONS BETWEEN TWO HYDROGEN ATOMS: THE SLATER-KIRKWOOD METHOD REVISITED

被引:7
|
作者
Cances, Eric [1 ,2 ]
Scott, L. Ridgway [3 ,4 ,5 ]
机构
[1] Univ Paris Est, Ecole Ponts, F-77455 Marne La Vallee, France
[2] INRIA, F-77455 Marne La Vallee, France
[3] Univ Chicago, Computat Inst, Dept Comp Sci, Chicago, IL 60637 USA
[4] Univ Chicago, Computat Inst, Dept Math, Chicago, IL 60637 USA
[5] Univ Chicago, Inst Biophys Dynam, Chicago, IL 60637 USA
关键词
electronic structure; Van der Waals force; hydrogen molecule; UNBOUNDED-DOMAINS; GROUND-STATE; FORCES; MOLECULE; ENERGY; ION;
D O I
10.1137/15M1021878
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
We examine a technique of Slater and Kirkwood [Phys. Rev., 37 (1931), 682] which provides an exact resolution of the asymptotic behavior of the van der Waals attraction between two hydrogen atoms. We modify their technique to make the problem more tractable analytically and more easily solvable by numerical methods. Moreover, we prove rigorously that this approach provides an exact solution for the asymptotic electron correlation. The proof makes use of recent results [Anapolitanos, On van der Waals Forces, Ph.D. thesis, University of Toronto, Toronto, 2011] (see also [Anapolitanos and Sigal, Long Range Behaviour of van der Waals Force, arXiv.org, 2013]. We provide visual representations of the asymptotic electron correlation (entanglement) based on the use of Laguerre approximations.
引用
收藏
页码:381 / 410
页数:30
相关论文
共 50 条
  • [41] Appreciable Ni•••O interactions at distances almost equal to the sum of the van der Waals radii of the two atoms
    Li, XZ
    He, JH
    Liao, DZ
    INORGANIC CHEMISTRY COMMUNICATIONS, 2005, 8 (10) : 939 - 942
  • [42] Van der Waals energy of a hydrogen atom placed between two parallel metal plates
    Paranjape, VV
    McNeill, G
    Panat, PV
    PHYSICA B, 1999, 269 (3-4): : 269 - 277
  • [43] Van der Waals interaction between microparticle and uniaxial crystal with application to hydrogen atoms and multiwall carbon nanotubes
    Blagov, EV
    Klimchitskaya, GL
    Mostepanenko, VM
    PHYSICAL REVIEW B, 2005, 71 (23)
  • [44] Probing van der Waals interactions at two-dimensional heterointerfaces
    Baowen Li
    Jun Yin
    Xiaofei Liu
    Hongrong Wu
    Jidong Li
    Xuemei Li
    Wanlin Guo
    Nature Nanotechnology, 2019, 14 : 567 - 572
  • [45] Probing van der Waals interactions at two-dimensional heterointerfaces
    Li, Baowen
    Yin, Jun
    Liu, Xiaofei
    Wu, Hongrong
    Li, Jidong
    Li, Xuemei
    Guo, Wanlin
    NATURE NANOTECHNOLOGY, 2019, 14 (06) : 567 - +
  • [46] The importance of solute-solvent van der Waals interactions with interior atoms of biopolymers
    Pitera, JW
    van Gunsteren, WF
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (13) : 3163 - 3164
  • [47] Adsorption of Cu, Ag, and Au atoms on graphene including van der Waals interactions
    Amft, Martin
    Lebegue, Sebastien
    Eriksson, Olle
    Skorodumova, Natalia V.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2011, 23 (39)
  • [48] The energy of covalent bonds between nonmetal atoms at Van der Waals distances
    Batsanov, S. S.
    RUSSIAN JOURNAL OF INORGANIC CHEMISTRY, 2010, 55 (07) : 1112 - 1113
  • [49] Body-Assisted van der Waals Interaction between Excited Atoms
    Safari, Hassan
    Karimpour, Mohammad Reza
    PHYSICAL REVIEW LETTERS, 2015, 114 (01)
  • [50] The energy of covalent bonds between nonmetal atoms at Van der Waals distances
    S. S. Batsanov
    Russian Journal of Inorganic Chemistry, 2010, 55 : 1112 - 1113