In order to investigate whether endohedral He-doping is possible or not in CL-20,a density functional treatment has been carried out at the levels of B3LYP/6-31++G(d,p)and B3PW91/6-31++G(d,p).Some physicochemical and ...In order to investigate whether endohedral He-doping is possible or not in CL-20,a density functional treatment has been carried out at the levels of B3LYP/6-31++G(d,p)and B3PW91/6-31++G(d,p).Some physicochemical and quantum chemical properties of the helium-doped CL-20 (He@CL-20)are compared with the respective values of the parent explosive CL-20.The helium doping caused swelling of CL-20cage but no bond rupture occurred.Doped helium acquired some positive charge.展开更多
The g-factors of the 2 3P, 2 1P, and 3 3P states of the helium atom are calculated by using the vatiational wave functions constructed from the linear combinations of Slater-type basis sets. The relativistic correctio...The g-factors of the 2 3P, 2 1P, and 3 3P states of the helium atom are calculated by using the vatiational wave functions constructed from the linear combinations of Slater-type basis sets. The relativistic corrections to order α 2(a.u.) and the effect of the motion of the center of mass are treated by using first-order perturbation theory. Most of our predicted results are in good agreement with recent results of Yan and Drake, which were obtained by using the wave functions with doubled Hylleraas coordinates. Based on the analysis of the convergence pattern in our calculation, we believe that our predicted value of the δg L-factor for 3 3P state in 4He, 2.914 15×10 -7 , ought to be reasonable and accurate, although there are no corresponding experimental data available in the liteature yet to be compared with.展开更多
In this paper, author investigated the effect of the Coulomb potential of the core of atomic helium on the rescattering processes. Through the calculation author concluded that the Coulomb potential effect may not pla...In this paper, author investigated the effect of the Coulomb potential of the core of atomic helium on the rescattering processes. Through the calculation author concluded that the Coulomb potential effect may not play an important role in causing the discrepancy between the experimental data and theoretical results of Kuchievs model, and the NS ionization is dependent on the frequency of the laser field. Furthermore, it is concluded that the strength of the laser field and the charge number of the core affect the frequency regime corresponding to the peak value of the NS ionization rate.展开更多
For atmospheric pressure plasma jets(APPJ),the gas temperature is essential for their applications.A spectral diagnosis of APPJ’s gas temperature is conducted in this work.The optical emission spectra of helium APPJ ...For atmospheric pressure plasma jets(APPJ),the gas temperature is essential for their applications.A spectral diagnosis of APPJ’s gas temperature is conducted in this work.The optical emission spectra of helium APPJ are captured by using an optical spectrometer system.Then,the grating secondary spectrum of OH(A2∑+(ν=0)→X2П(ν=0))are used to diagnose the gas temperature of plasmas because the spectrum has excellent resolution.Meanwhile,the vibrational temperatures are estimated by using the vibration sequence of N2band(SPS,the second positive system).On the basis of the method,some important conclusions were obtained.First,the spectral identifying indicates that the grating primary spectrum covers a whole wavelength range from 200 nm to 900 nm,and that the grating secondary spectrum overlaps with the primary spectrum from 400 nm to 900 nm.Second,the gas temperature(about 320 K)is close to the room temperature,while the vibrational temperature of the N2(SPS)is about 5 000 K.The trend of the two temperatures changing with the applied voltage is discussed in the end.展开更多
文摘In order to investigate whether endohedral He-doping is possible or not in CL-20,a density functional treatment has been carried out at the levels of B3LYP/6-31++G(d,p)and B3PW91/6-31++G(d,p).Some physicochemical and quantum chemical properties of the helium-doped CL-20 (He@CL-20)are compared with the respective values of the parent explosive CL-20.The helium doping caused swelling of CL-20cage but no bond rupture occurred.Doped helium acquired some positive charge.
文摘The g-factors of the 2 3P, 2 1P, and 3 3P states of the helium atom are calculated by using the vatiational wave functions constructed from the linear combinations of Slater-type basis sets. The relativistic corrections to order α 2(a.u.) and the effect of the motion of the center of mass are treated by using first-order perturbation theory. Most of our predicted results are in good agreement with recent results of Yan and Drake, which were obtained by using the wave functions with doubled Hylleraas coordinates. Based on the analysis of the convergence pattern in our calculation, we believe that our predicted value of the δg L-factor for 3 3P state in 4He, 2.914 15×10 -7 , ought to be reasonable and accurate, although there are no corresponding experimental data available in the liteature yet to be compared with.
文摘In this paper, author investigated the effect of the Coulomb potential of the core of atomic helium on the rescattering processes. Through the calculation author concluded that the Coulomb potential effect may not play an important role in causing the discrepancy between the experimental data and theoretical results of Kuchievs model, and the NS ionization is dependent on the frequency of the laser field. Furthermore, it is concluded that the strength of the laser field and the charge number of the core affect the frequency regime corresponding to the peak value of the NS ionization rate.
基金Project supported by China National Fund for Distinguished Young Scientists （51125029）, China Foundation for the Author of National Excellent Doctoral Dissertation （200338）, Intersection Subject Program of Xi＇an Jiaotong University （xjj2012132）, Fundamental Research Fund for the Central Universities （xjj2010160）, China National Science Foundation for Young Scientists （51307133）.
文摘For atmospheric pressure plasma jets(APPJ),the gas temperature is essential for their applications.A spectral diagnosis of APPJ’s gas temperature is conducted in this work.The optical emission spectra of helium APPJ are captured by using an optical spectrometer system.Then,the grating secondary spectrum of OH(A2∑+(ν=0)→X2П(ν=0))are used to diagnose the gas temperature of plasmas because the spectrum has excellent resolution.Meanwhile,the vibrational temperatures are estimated by using the vibration sequence of N2band(SPS,the second positive system).On the basis of the method,some important conclusions were obtained.First,the spectral identifying indicates that the grating primary spectrum covers a whole wavelength range from 200 nm to 900 nm,and that the grating secondary spectrum overlaps with the primary spectrum from 400 nm to 900 nm.Second,the gas temperature(about 320 K)is close to the room temperature,while the vibrational temperature of the N2(SPS)is about 5 000 K.The trend of the two temperatures changing with the applied voltage is discussed in the end.
