| 原子刚性转子散射几率的密耦合波包法计算 |
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| 引用本文： | 任廷琦,杨焕旺,张怿慈.原子刚性转子散射几率的密耦合波包法计算[J].物理学报,1992,41(1):18-25. |
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| 作者姓名： | 任廷琦 杨焕旺 张怿慈 |
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| 作者单位： | (1)山东师范大学物理系,济南,250014; (2)烟台师范学院物理系,烟台,264000 |
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| 摘 要： | 本文分别在方向固定于空间的质心坐标系(以下简称SF坐标系)和随体坐标系(以下简称BF坐标系)两种坐标系中,详细地讨论了最近发展起来的密耦合波包理论,以He-H2为碰撞体系,计算了其态-态跃迁几率,结果表明:(1)在两种坐标系中建立的理论是等价的,其计算结果与标准的密耦合(以下简称CC)法计算的结果符合良好;(2)如果耦合项数增加,则在BF坐标系中密耦合波包法的计算效率将明显高于在SF坐标系中密耦合波包法的计算效率。
关键词：
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| 关 键 词： | 散射几率 CCWP 跃迁几率 原子 分子 |
| 收稿时间： | 2/8/1991 12:00:00 AM |
CLOSE COUPLING WAVE PACKET THEORY OF ATOM- DIATOM SCATTERING |
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| REN TING-QI,YANG HUAN-WANG and ZHANG YI-CI.CLOSE COUPLING WAVE PACKET THEORY OF ATOM- DIATOM SCATTERING[J].Acta Physica Sinica,1992,41(1):18-25. |
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| Authors: | REN TING-QI YANG HUAN-WANG and ZHANG YI-CI |
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| Abstract: | In the space-fixed(SF)coordinate frame and body-fixed(BF) coordinate frame, we cal-culete the state to state transitional probabilities for the He-H2 system by using the rencently developed close coupling wave packet method. The results shows that (1) the two theories formulated in the SF frame and BF frame are equivalent, and the calculated results of the two method coincide with that of close coupling method, (2) the calculational efficience in the SF, frame is higher than that in the BF frame as the number of coupled terms increases. |
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