The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effe...The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effect.It is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region.The present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.展开更多
The oscillator strengths of the valence-shell excitations of C_(2)H_(2) are extremely important for testing theoretical models and studying interstellar gases.In this study,the high-resolution inelastic x-ray scatteri...The oscillator strengths of the valence-shell excitations of C_(2)H_(2) are extremely important for testing theoretical models and studying interstellar gases.In this study,the high-resolution inelastic x-ray scattering(IXS)method is adopted to determine the generalized oscillator strengths(GOSs)of the valence-shell excitations of C_(2)H_(2) at a photon energy of10 ke V.The GOSs are extrapolated to their zero limit to obtain the corresponding optical oscillator strengths(OOSs).Through taking a completely different experimental method of the IXS,the present results offer the high energy limit for electron collision to satisfy the first Born approximation(FBA)and cross-check the previous experimental and theoretical results independently.The comparisons indicate that an electron collision energy of 1500 e V is not enough for C_(2)H_(2) to satisfy the FBA for the large squared momentum transfer,and the line saturation effect limits the accuracy of the OOSs measured by the photoabsorption method.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.12334010,12174259,and 11604003)。
文摘The generalized oscillator strengths of the dipole-forbidden excitations of the ^(1)A_(2) of H_(2)O and D_(2)O were calculated with the time dependent density functional theory,by taking into account the vibronic effect.It is found that the vibronic effect converts the dipole-forbidden excitation of the ^(1)A_(2) into a dipole-allowed one,which enhances the intensities of the corresponding generalized oscillator strength in the small squared momentum transfer region.The present investigation shows that the vibronic effect of H_(2)O is slightly stronger than that of D_(2)O,which exhibits a clear isotopic effect.
基金Project supported by the Strategic Priority Research Program of the Chinese Academy of Science(Grant No.XDB34000000)the National Natural Science Foundation of China(Grant Nos.U1932207 and 12104437)+3 种基金the National Key Research and Development Program of China(Grant No.2017YFA0402300)The support from the Heavy Ion Research Facility in Lanzhou(HIRFL)the BL12XU of SPring-8 with the approval of Japan Synchrotron Radiation Research Institute(Proposal No.2019A4275)“National”Synchrotron Radiation Research Center,Taiwan,China(Proposal No.2019-2-089-1)。
文摘The oscillator strengths of the valence-shell excitations of C_(2)H_(2) are extremely important for testing theoretical models and studying interstellar gases.In this study,the high-resolution inelastic x-ray scattering(IXS)method is adopted to determine the generalized oscillator strengths(GOSs)of the valence-shell excitations of C_(2)H_(2) at a photon energy of10 ke V.The GOSs are extrapolated to their zero limit to obtain the corresponding optical oscillator strengths(OOSs).Through taking a completely different experimental method of the IXS,the present results offer the high energy limit for electron collision to satisfy the first Born approximation(FBA)and cross-check the previous experimental and theoretical results independently.The comparisons indicate that an electron collision energy of 1500 e V is not enough for C_(2)H_(2) to satisfy the FBA for the large squared momentum transfer,and the line saturation effect limits the accuracy of the OOSs measured by the photoabsorption method.
