Changes of Molecular Properties in the Presence of a Positron

摘要：

Upon interacting with a positron, a molecule undergoes many changes in its properties that are important to be investigated, for example, its relaxed geometry and normal frequencies. Unfortunately, traditional fully-correlated methods impose large limitations to this study. Results are limited so far to the interaction of a positron with small diatomic molecules 1. In order to try to generalize this study, extending it to larger molecules, we start applying an adiabatic method in which the positron is treated as a small atomic nucleus 2. First stimulating results will be reported for complex of a positron with XH molecules, X=Li, Na, K. Prospective application to larger organic molecules, of high interest, will be discussed.

作者: José R.Mohallem Denise Assafrao

作者单位: Laboratório de átomos e Moléculas Especiais,Departamento de Física,ICEx,Universidade Federal de Minas Gerais,CP 702,30.123-970,Belo Horizonte,MG,Brasil

会议类型: 国际会议

会议名称: 第九届国际正电子与正电子素国际会议(9th International Workshop on Positron and Positronium Chemistry)(PPC–9)

会议地点: 武汉

会议语种:英文

页码: 5

在线出版日期: 2008-05-11（万方平台首次上网日期，不代表论文的发表时间）