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
Fano resonance is a ubiquitous phenomenon, and it is commonly interpreted as a two-channel interference of the discrete and continuous channels. The present work investigates the Fano profile from a perspective of the...Fano resonance is a ubiquitous phenomenon, and it is commonly interpreted as a two-channel interference of the discrete and continuous channels. The present work investigates the Fano profile from a perspective of the temporal evolution of the wave function. By exciting the atom with a δ pulse and calculating the evolution of the wave function, the Fano formula is deduced. The results clearly show that the Fano resonance is of a three-channel interference, which is different from the traditional understanding. The three channels are revealed as the groundcontinuum, ground-discrete-continuum, and a previously unmentioned third channel, i.e., ground-continuumdiscrete-continuum. The present three-channel interpretation can be easily generalized to other physical systems,contributing to a deeper understanding of the Fano profile.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supported by the National Natural Science Foundation of China (Grant No. 12334010)。
文摘Fano resonance is a ubiquitous phenomenon, and it is commonly interpreted as a two-channel interference of the discrete and continuous channels. The present work investigates the Fano profile from a perspective of the temporal evolution of the wave function. By exciting the atom with a δ pulse and calculating the evolution of the wave function, the Fano formula is deduced. The results clearly show that the Fano resonance is of a three-channel interference, which is different from the traditional understanding. The three channels are revealed as the groundcontinuum, ground-discrete-continuum, and a previously unmentioned third channel, i.e., ground-continuumdiscrete-continuum. The present three-channel interpretation can be easily generalized to other physical systems,contributing to a deeper understanding of the Fano profile.
