Time-dependent rovibronic wavefunctions of diatomic molecules

双原子分子的时间依赖性振动电子波函数

• 批准号: 21K04990
• 负责人: LOETSTEDT ERIK
• 金额: $ 1.66万
• 依托单位: The University of Tokyo
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (C)
• 财政年份: 2021
• 资助国家: 日本
• 起止时间: 2021-04-01 至 2024-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-21K04990/
• 关键词: TDSE; Multiconfig. methods; Numerical methods; Strong laser field; Diatomic molecules; Particle correlation; Strong-field science; Laser-matter interaction

During the FY2022, I have concentrated my efforts on the construction of a program based on multiconfiguration theory for simulation the time-dependent wave function of the hydrogen molecular ion (H2+), including the electronic, vibrational, and rotational degrees of freedom. A program which can calculate the rovibronic ground state as well as the time-dependent response to an intense laser field has been essentially completed, and is currently being tested for convergence by varying several parameters such as the number of terms in the partial wave expansion.Together with a student, I have also shown theoretically how the timing of ionization of a nitrogen molecule affects the post-ionization excitation of the nitrogen molecular ion. For the simulation, we used a model where the complete, rovibronic wave function of N2+ was treated (however not including further ionization of N2+).

在2022财年期间，我将努力集中在基于多构型理论的程序上的构建上，以模拟氢分子离子（H2+）的时间依赖性波函数，包括电子，振动和旋转自由度。 一个可以计算Rovibronic基态以及对强烈激光领域的时间依赖性响应的程序基本上已经完成，并且目前正在通过改变几个参数（例如部分波的扩展中的术语数量）进行测试，例如与学生的术语相关。分子离子。对于仿真，我们使用了一个模型，其中处理了N2+的完整，Rovibronic波函数（但不包括N2+的进一步电离）。

项目成果

Theoretical interpretation of air lasing by the simulation of strong-field induced population inversion in N2+

通过模拟 N2 中强场引起的粒子数反转对空气激光的理论解释

• 发表时间: 2022
• 作者: Erik Loetstedt

Webpage of the Yamanouchi laboratory

山之内实验室的网页

Effects of ionization timing for off-resonant population transfer by postionization excitation in N2+

• DOI: 10.1103/physreva.106.063109
• 发表时间: 2022-12
• 期刊: Physical Review A
• 影响因子: 2.9
• 作者: Youyuan Zhang;E. Lötstedt;K. Yamanouchi

Theoretical modeling of strong-field excitation of N2+

N2强场激励的理论模型

• 发表时间: 2021
• 作者: 熊谷遼;小野稜平,秋山英文;板橋英之;樋山みやび;Erik Loetstedt
• 通讯作者: Erik Loetstedt

Jilin University(中国)

吉林大学（中国）