Effect of anisotropy on the glory structure of molecule-molecule scattering cross sections

被引:5
作者
Perez-Rios, Jesus [1 ]
Bartolomei, Massimiliano [1 ]
Campos-Martinez, Jose [1 ]
Hernandez, Marta I. [1 ]
机构
[1] Consejo Super Invest Cient IFF CSIC, Inst Fis Fundamental, Madrid 28006, Spain
关键词
POTENTIAL-ENERGY SURFACES; COUPLED STATES APPROXIMATION; BEAM SCATTERING; O-2-O-2; DIMER; VELOCITY DEPENDENCE; ELASTIC SCATTERING; UNDULATIONS; COLLISIONS; EXTREMA; SYSTEMS;
D O I
10.1016/j.cplett.2011.12.020
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
Total (elastic + rotationally inelastic) integral cross sections are computed for O(2)((3)Sigma(-)(g))-O(2)((3)Sigma(-)(g)) using a recent ab initio potential energy surface. The sampled velocity range allows us a thorough comparison of the glory interference pattern observed in molecular beam experiments. The computed cross sections are about 10% smaller than the measured ones, however, a remarkable agreement in the velocity positions of the glory extrema is achieved. By comparing with models where the anisotropy of the interaction is reduced or removed, it is found that the glory pattern is very sensitive to the anisotropy, especially the positions of the glory extrema. (C) 2011 Elsevier B. V. All rights reserved.
引用
收藏
页码:28 / 32
页数:5
相关论文
共 40 条
  • [1] A STABLE LINEAR REFERENCE POTENTIAL ALGORITHM FOR SOLUTION OF THE QUANTUM CLOSE-COUPLED EQUATIONS IN MOLECULAR-SCATTERING THEORY
    ALEXANDER, MH
    MANOLOPOULOS, DE
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04) : 2044 - 2050
  • [2] [Anonymous], 1959, QUANTUM MECH
  • [3] [Anonymous], MOLSCAT VERSION 14
  • [4] [Anonymous], 1963, PROGR THEOR PHYS SUP
  • [5] Molecular beam scattering of aligned oxygen molecules.: The nature of the bond in the O2-O2 dimer
    Aquilanti, V
    Ascenzi, D
    Bartolomei, M
    Cappelletti, D
    Cavalli, S
    Vitores, MD
    Pirani, F
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (46) : 10794 - 10802
  • [6] Scattering of aligned molecules.: The potential energy surfaces for the Kr-O2 and Xe-O2 systems
    Aquilanti, V
    Ascenzi, D
    Cappelletti, D
    de Castro, M
    Pirani, F
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (10) : 3898 - 3910
  • [7] The intermolecular potentials of the O2-O2 dimer:: a detailed ab initio study of the energy splittings for the three lowest multiplet states
    Bartolomei, Massimiliano
    Hernandez, Marta I.
    Campos-Martinez, Jose
    Carmona-Novillo, Estela
    Hernandez-Lamoneda, Ramon
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2008, 10 (35) : 5374 - 5380
  • [8] Long-Range Interaction for Dimers of Atmospheric Interest: Dispersion, Induction and Electrostatic Contributions for O2-O2, N2-N2 and O2-N2
    Bartolomei, Massimiliano
    Carmona-Novillo, Estela
    Hernandez, Marta I.
    Campos-Martinez, Jose
    Hernandez-Lamoneda, Ramon
    [J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 32 (02) : 279 - 290
  • [9] Global ab initio potential energy surfaces for the O2(3Σg-)+O2(3Σg-) interaction
    Bartolomei, Massimiliano
    Carmona-Novillo, Estela
    Hernandez, Marta I.
    Campos-Martinez, Jose
    Hernandez-Lamoneda, Ramon
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (12)