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.
Zhongxue RenBin ZhangYan YangYalei ZhuGuangru BaiJinlei LiuJing ZhaoZengxiu ZhaoPublished in: Comput. Phys. Commun. (2024)
Keyphrases
- high order
- interaction model
- virtual environment
- higher order
- molecular structure
- molecular interactions
- low order
- molecular structures
- user interface
- pairwise
- chemical reactions
- virtual screening
- image reconstruction
- principal component analysis
- ligand docking
- mixed initiative
- tensor analysis
- markov random field
- bayesian logistic regression
- linear combination
- needle insertion
- training data