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Comparison of classical trajectory and quantal close-coupling calculation of generalized cross sections for N_2~+-He mixtures

机译:N_2〜+ -He混合物的经典截面和广义截面的量子紧密耦合计算的比较

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摘要

Quantal close-coupling calculations of the energy-dependent cross sections governing relaxation phenomena in depolarized Rayleigh scattering and nuclear magnetic resonance, and the Senftleben-Beenakker effect on viscosity, diffusion, and thermal conductivity have been performed for the system N_2~+-He. The corresponding classical expressions for these cross sections have been evaluated by the classical trajectory method and compared with the quantal results in the energy range 50 cm~(-1) to 838.6 cm~(-1). Excellent agreement is found for all 16 cross sections at the highest energy studied. While the agreement deteriorates for Most of the cross sections at lower energies, the quantization errors for the field-free viscosity and diffusion cross sections, which have non-vanishing spherical limits, are within 3 % for all energies considered.
机译:已经对系统N_2〜+ -He进行了能量依赖性截面的量子紧密耦合计算,这些截面控制着去极化瑞利散射和核磁共振中的弛豫现象,以及Senftleben-Beenakker对粘度,扩散和热导率的影响。这些截面的相应经典表达式已通过经典轨迹法进行了评估,并与能量范围为50 cm〜(-1)至838.6 cm〜(-1)的量化结果进行了比较。在研究的最高能量下,所有16个横截面都具有极好的一致性。尽管在较低能量下大多数横截面的一致性变差,但考虑到所有能量,无场黏性和扩散横截面的量化误差(球形极限不变)在3%以内。

著录项

  • 来源
    《Molecular physics》 |1996年第1期|p.161-172|共12页
  • 作者

    W.-K. LIU; A. S. DICKINSON;

  • 作者单位

    Guelph-Waterloo Program for Graduate Work in Physics (GWP)~2, Department of Physics, University of Waterloo, Ontario, Canada N2L 3G1;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 分子物理学;
  • 关键词

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