Time Dependent Wave Packet Study of the H<sup>-</sup>+ H<sub>2</sub>Nonreactive Scattering

• 作者: Seda Surucu Sinan Akpinar
• 来源期刊: 量子信息科学期刊(英文)
• 学科: 医学
• 关键词: REACTION DYNAMICS Non-Reactive SCATTERING
• 年，卷（期）: 2011,（2）
• 页码范围: 96-103
• 页数: 8页
• 分类号: R73

摘要

Time dependent wave packet calculations have been performed for the H-+ H2nonreactive scattering, summed of elastic and inelastic probabilities, on the recent reported potential energy surface of the systems. The total probabilities for total angular momentum J up to 35 have been calculated to get the converged integral cross sections over collision energy range of 0.20 - 1.42 eV. Integral cross-sections and rate constants have been calculated from the wave packet transition probabilities for the initial states (υ = 0, j = 0) by means of J-shifting method and uniform J-shifting method for J > 0.