在强烈激光脉冲中的多电子动态模拟中使用Erfgau潜力
Yuki Orimo1, Takeshi Sato1,2,3, Kenichi L Ishikawa1,2,3
1Department of Nuclear Engineering and Management, Graduate School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan.
The journal of physical chemistry. A
|November 30, 2023
概括
我们介绍了erfgau潜力,这是一个计算快捷方式,用于在激光照射下模拟原子和分子中的电子行为. 这种方法可以降低计算成本,同时保持高波生成研究的准确性.
科学领域:
- 计算物理 计算物理
- 量子化学 是一个量子化学.
- 激光-物质相互作用
背景情况:
- 在激烈的激光场下模拟原子和分子中的电子动力学是计算密集的.
- 纯库伦潜力对这些模拟的计算效率提出了挑战.
研究的目的:
- 提出和评估 erfgau 潜力作为一个计算效率高的库伦潜力的替代方案.
- 为了证明 erfgau 电位在模拟高强度激光驱动的电子动态中的准确性.
主要方法:
- 实现 erfgau 电位作为近似的库伦电位.
- 在由高强度激光脉冲驱动的原子和多电子系统 (分子) 中电子动态的数值模拟.
主要成果:
- 与纯库伦潜力相比,Erfgau潜力显著降低了计算需求.
- 在原子和分子系统中实现了高波生成 (HHG) 的精确模拟.
- 即使没有复杂的伪潜力,潜力的有效性也被证明.
结论:
- 欧夫高电位提供了一种计算可处理和准确的方法来模拟激光驱动的电子动力学.
- 这种方法有助于研究各种原子和分子系统中的HHG等复杂现象.
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