Quantum close coupling calculation of transport and relaxation properties for Hg-H2 system
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- 作者：Ebrahim Nemati-Kande ; Ali Maghari ; maghari@ut.ac.ir" class="auth_mail" title="E-mail the corresponding author
- 关键词：Close coupling ; Senftleben-Beenakker effect ; Mason-Monchick approximation ; Transport properties ; Potential energy surface
- 刊名：Chemical Physics
- 出版年：2016
- 出版时间：10 November 2016
- 年：2016
- 卷：479
- 期：Complete
- 页码：99-108
- 全文大小：799 K
文摘
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Several relaxation cross sections are calculated for Hg-H2 van der Waals complex.
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These cross sections are calculated from exact close-coupling method.
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Energy-dependent SBE cross sections are calculated for ortho- and para-H2 + Hg systems.
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Viscosity and diffusion coefficients are calculated using Mason-Monchick approximation.
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The results obtained by Mason-Monchick approximation are compared to the exact close-coupling results.