Université Paul Verlaine-Metz, Laboratoire de Physique Moléculaire et des Collisions, ICPMB (FR CNRS 2843), Institut de Physique, 1 bd Arago, 57078 Metz Cedex 3, France.
Phys Med Biol. 2010 Jan 7;55(1):11-32. doi: 10.1088/0031-9155/55/1/002.
In this work, we report a unified methodology to express the molecular wavefunctions of water in both vapor and liquid phases by means of a single-center approach. These latter are then used as input data in a theoretical treatment--previously published and successfully tested--for describing the water ionization process in the first Born approximation (Champion et al 2006 Phys. Rev. A 73 012717). The multi-differential and total cross sections also obtained are reported for the two thermodynamical phases investigated and compared to the rare existing experimental and theoretical data.
在这项工作中，我们报告了一种统一的方法，通过单中心方法来表示气相和液相中水分子的分子波函数。然后，将这些波函数作为输入数据，用于以前发表并经过成功验证的理论处理，以在第一 Born 近似（Champion 等人，2006 年，Phys. Rev. A 73，012717）中描述水的电离过程。还报告了针对所研究的两种热力学相获得的多微分截面和总截面，并与罕见的现有实验和理论数据进行了比较。
