exactquantumscatteringstudyofthed2sds2reaction
文献类型：期刊论文
| 作者 | Lv Shuangjiang; Zhang Peiyu; He Guozhong |
| 刊名 | chinesephysicsletters
 |
| 出版日期 | 2012-01-01 |
| 卷号 | 29期号:7页码:073401 |
| ISSN号 | 0256-307X |
| 英文摘要 | The quantum scattering dynamics calculations are carried out for the exchange and abstraction processes in the D(~2S)+DS(~2Π) reaction by the time-dependent wave-packet (TDWP) method. These calculations are based on the high-quality ab initio potential energy surface of the reacting system. The reaction probabilities and integral cross sections are obtained in the collision energy (Ecol) range of 0.0-2.0 eV for the reactant DS initially in the ground state and the first vibrationally excited state. We take the Coriolis coupling (CC) effect into account and present the comparison between the CC and the centrifugal sudden (CS) approximation calculation. The dynamics results show that the initial vibrational excitation of DS enhances both abstraction and exchange processes except that it has little effect on the abstraction cross section in the high energy region. |
| 语种 | 英语 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/174801]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 中国科学院大连化学物理研究所 |
| 推荐引用方式 GB/T 7714 | Lv Shuangjiang,Zhang Peiyu,He Guozhong. exactquantumscatteringstudyofthed2sds2reaction[J]. chinesephysicsletters,2012,29(7):073401. |
| APA | Lv Shuangjiang,Zhang Peiyu,&He Guozhong.(2012).exactquantumscatteringstudyofthed2sds2reaction.chinesephysicsletters,29(7),073401. |
| MLA | Lv Shuangjiang,et al."exactquantumscatteringstudyofthed2sds2reaction".chinesephysicsletters 29.7(2012):073401. |
入库方式： OAI收割
来源：大连化学物理研究所
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