The van der Waals potential of mercury dimer

被引：5
|
作者：
Qiao, L. W. [2 ]
Li, P. [2 ]
Tang, K. T. [1 ,2 ]
机构：
[1] Pacific Lutheran Univ, Dept Phys, Tacoma, WA 98447 USA
[2] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2012年 / 532卷
关键词：
DAMPING FUNCTIONS; MODEL;
D O I：
10.1016/j.cplett.2012.02.056
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Both the equilibrium distance Re and the well depth De of the mercury dimer potential from a recent relativistic CCSD(T) calculation fall within the error bounds of experiment. With this set of (R-e, D-e), the entire potential curve can be determined by the dispersion coefficients with the Tang-Toennies (TT) potential model without further fitting. The spectroscopic constants calculated from this potential are in excellent agreement with experiment. In the van der Waals well region, there is no discernible difference between the TT potential and the multi-parameter least-square fitted extented Lennard Jones potential. The TT potential has the advantage of being physically transparent and asymptotically approaching to the correct dispersion series. (c) 2012 Elsevier B.V. All rights reserved.
引用
收藏
页码：19 / 21
页数：3
相关论文
共 50 条
  • [21] The rotational spectrum and structure of the chlorobenzene-neon van der Waals dimer
    Oh, JJ
    Park, I
    Peebles, SA
    Kuczkowski, RL
    JOURNAL OF MOLECULAR STRUCTURE, 2001, 599 (1-3) : 15 - 22
  • [22] Van der Waals Universality in Homonuclear Atom-Dimer Elastic Collisions
    P. Giannakeas
    Chris H. Greene
    Few-Body Systems, 2017, 58
  • [23] Microwave spectroscopic investigation of the Ne-acetylene van der Waals dimer
    Liu, YQ
    Jäger, W
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2003, 5 (09) : 1744 - 1751
  • [24] Van der Waals Universality in Homonuclear Atom-Dimer Elastic Collisions
    Giannakeas, P.
    Greene, Chris H.
    FEW-BODY SYSTEMS, 2017, 58 (01)
  • [25] Van der Waals contribution to the lattice potential in alkali halides
    Wani, Tanveer Ahmad
    Singh, Pankaja
    OPTOELECTRONICS AND ADVANCED MATERIALS-RAPID COMMUNICATIONS, 2013, 7 (9-10): : 751 - 753
  • [26] General van der Waals potential for common organic molecules
    Qi, Rui
    Wang, Qiantao
    Ren, Pengyu
    BIOORGANIC & MEDICINAL CHEMISTRY, 2016, 24 (20) : 4911 - 4919
  • [27] Van der Waals interactions: Accuracy of pair potential approximations
    Cole, Milton W.
    Kim, Hye-Young
    Liebrecht, Michael
    JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (19):
  • [28] Dispersion and polarizability and the van der Waals potential in the alkali halides
    Mayer, JE
    JOURNAL OF CHEMICAL PHYSICS, 1937, 1 (04): : 270 - 279
  • [29] A remark on the molecular potential function of Prof van der Waals
    van der Waals, JD
    PROCEEDINGS OF THE KONINKLIJKE AKADEMIE VAN WETENSCHAPPEN TE AMSTERDAM, 1900, 2 : 163 - 178
  • [30] Interatomic van der Waals potential in the presence of a magnetoelectric sphere
    Safari, Hassan
    Welsch, Dirk-Gunnar
    Dung, Ho Trung
    Buhmann, Stefan Yoshi
    PHYSICAL REVIEW A, 2008, 77 (05):
12345