The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molec...The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.展开更多
The Electron Cyclotron Resonance(ECR)ion source is a critical device for producing highly charged ion beams in various applications.Analyzing the charge-state distribution of the ion beams is essential,but the manual ...The Electron Cyclotron Resonance(ECR)ion source is a critical device for producing highly charged ion beams in various applications.Analyzing the charge-state distribution of the ion beams is essential,but the manual analysis is labor-intensive and prone to inaccuracies due to impurity ions.An automatic spectrum recognition system based on intelligent algorithms was proposed for rapid and accurate chargestate analysis of ECR ion sources.The system employs an adaptive window-length Savitzky-Golay(SG)filtering algorithm,an improved automatic multiscale peak detection(AMPD)algorithm,and a greedy matching algorithm based on the relative distance to accurately match different peaks in the spectra with the corresponding charge-state ion species.Additionally,a user-friendly operator interface was developed for ease of use.Extensive testing on the online ECR ion source platform demonstrates that the system achieves high accuracy,with an average root mean square error of less than 0.1 A for identifying charge-state spectra of ECR ion sources.Moreover,the system minimizes the stand-ard deviation of the first-order derivative of the smoothed signal to 81.1846 A.These results indicate the capability of the designed system to identify ion beam spectra with mass numbers less than Xe,including Xe itself.The proposed automatic spectrum recognition system represents a significant advancement in ECR ion source analysis,offering a rapid and accurate approach for charge-state analysis while enhancing supply efficiency.The exceptional performance and successful imple-mentation of the proposed system on multiple ECR ion source platforms at IMPCAS highlight its potential for widespread adoption in ECR ion source research and applications.展开更多
基金Project supported by the Natural Science Foundation of Heilongjiang Province,China(Grant No.LH2022A026)the National Key Research and Development Program of China(Grant No.2022YFA1602500)+2 种基金the National Natural Science Foundation of China(Grant No.11934004)Fundamental Research Funds in Heilongjiang Province Universities,China(Grant No.145109309)Foundation of National Key Laboratory of Computational Physics(Grant No.6142A05QN22006)。
文摘The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many years.Due to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is limited.To obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been utilized.This method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of SiS.The core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI calculation.Based on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental results.The transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI method.In addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic configuration.The opacity of SiS at a pressure of 100 atms is presented across a series of temperatures.With increasing temperature,the expanding population of excited states blurs the band boundaries.
文摘The Electron Cyclotron Resonance(ECR)ion source is a critical device for producing highly charged ion beams in various applications.Analyzing the charge-state distribution of the ion beams is essential,but the manual analysis is labor-intensive and prone to inaccuracies due to impurity ions.An automatic spectrum recognition system based on intelligent algorithms was proposed for rapid and accurate chargestate analysis of ECR ion sources.The system employs an adaptive window-length Savitzky-Golay(SG)filtering algorithm,an improved automatic multiscale peak detection(AMPD)algorithm,and a greedy matching algorithm based on the relative distance to accurately match different peaks in the spectra with the corresponding charge-state ion species.Additionally,a user-friendly operator interface was developed for ease of use.Extensive testing on the online ECR ion source platform demonstrates that the system achieves high accuracy,with an average root mean square error of less than 0.1 A for identifying charge-state spectra of ECR ion sources.Moreover,the system minimizes the stand-ard deviation of the first-order derivative of the smoothed signal to 81.1846 A.These results indicate the capability of the designed system to identify ion beam spectra with mass numbers less than Xe,including Xe itself.The proposed automatic spectrum recognition system represents a significant advancement in ECR ion source analysis,offering a rapid and accurate approach for charge-state analysis while enhancing supply efficiency.The exceptional performance and successful imple-mentation of the proposed system on multiple ECR ion source platforms at IMPCAS highlight its potential for widespread adoption in ECR ion source research and applications.
