共 3 条
SLIMP 2.0: A new version of strong laser interaction model package for atoms and molecules, now with molecular orbital tomography based on high-order harmonic spectra
被引:1
|作者:
Ren, Zhongxue
[1
]
Zhang, Bin
[1
]
Yang, Yan
[1
]
Zhu, Yalei
[1
]
Bai, Guangru
[1
]
Liu, Jinlei
[1
]
Zhao, Jing
[1
]
Zhao, Zengxiu
[1
,2
]
机构:
[1] Natl Univ Def Technol, Dept Phys, Changsha 410073, Peoples R China
[2] Natl Univ Def Technol, Hunan Key Lab Extreme Matter & Applicat, Changsha 410073, Peoples R China
关键词:
Molecular orbital tomography;
Transition dipole moment;
High-order harmonic spectra;
Symmetry;
ABOVE-THRESHOLD IONIZATION;
DYNAMICS;
D O I:
10.1016/j.cpc.2024.109213
中图分类号:
TP39 [计算机的应用];
学科分类号:
081203 ;
0835 ;
摘要:
A new version of strong laser interaction model package for atoms and molecules is presented. Its capacities are enhanced by incorporating modules related to molecular orbital tomography (MOT) in length and velocity forms based on high -order harmonic spectra (HHS). This advanced package enables two-dimensional and threedimensional MOT of both symmetric and asymmetric molecules using HHS, providing an efficient means for both experimental and theoretical investigations of molecular orbital structures. In addition, it can calculate the precise theoretical orbitals corresponding to those reconstructed by MOT. Furthermore, the package can calculate the transition dipole moment (TDM) in the plane wave approximation and allow for reference MOT based on TDM. It can evaluate the quality of reconstructed orbitals based on HHS and reveal the physical and numerical effects on MOT. This package is suitable for MOT under conditions of driving laser at different intensities and wavelengths, and can be applied to different molecules with various structures. It is designed to facilitate easy expansion for additional capabilities.
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页数:17
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