Urbańczyk T, Koperski J
Smoluchowski Institute of Physics, Jagiellonian University, Łojasiewcza 11, 30-348 Kraków, Poland.
Smoluchowski Institute of Physics, Jagiellonian University, Łojasiewcza 11, 30-348 Kraków, Poland.
Spectrochim Acta A Mol Biomol Spectrosc. 2018 Jan 15;189:502-509. doi: 10.1016/j.saa.2017.08.047. Epub 2017 Aug 17.
A new method for obtaining a pointwise potential energy curve of diatomic molecule using Neural Network is reported. The method is employed to generate new characteristics of the B1(5P) electronic state of Cd based on LIF excitation spectrum previously recorded using the B1←X0 (5S) transition. The obtained potential provides better simulation-to-experiment agreement than those obtained using other methods. Correctness of the method is additionally tested on artificially generated LIF excitation spectra based on well characterized b0(5P)←X0 transition in Cd. A method for obtaining parameters of an analytical form of the potential using Neural Network applied on artificially generated Cd spectra is also presented.
报道了一种使用神经网络获取双原子分子逐点势能曲线的新方法。该方法基于先前使用B1←X0(5S)跃迁记录的激光诱导荧光（LIF）激发光谱，用于生成镉的B1(5P)电子态的新特征。所获得的势能比使用其他方法获得的势能提供了更好的模拟与实验一致性。该方法的正确性还基于镉中特征明确的b0(5P)←X0跃迁的人工生成的LIF激发光谱进行了测试。还提出了一种使用应用于人工生成的镉光谱的神经网络来获取势能解析形式参数的方法。
