On the condition of electric-LO phonon strong coupling in a parabolic quantum dot,we obtain theeigenenergy and the eigenfunctions of the ground state and the first-excited state using the variational method ofPekar ty...On the condition of electric-LO phonon strong coupling in a parabolic quantum dot,we obtain theeigenenergy and the eigenfunctions of the ground state and the first-excited state using the variational method ofPekar type.This system in a quantum dot may be employed as a two-level quantum system-qubit.When the electronis in the superposition state of the ground state and the first-excited state,we obtain the time evolution of the electrondensity.The relations of the probability density of electron on the temperature and the electron-LO-phonon couplingconstant and the relations of the period of oscillation on the temperature,the electron-LO-phonon coupling constant,the Coulomb binding parameter and the confinement length are derived.The results show that the probability densityof electron oscillates with a period when the electron is in the superposition state of the ground and the first-excitedstate,and show that there are different laws that the probability density of electron and the period of oscillation changewith the temperature and the electron-LO-phonon coupling constant when the temperature is lower or higher.Andit is obtained that the period of oscillation decreases with increasing the Coulomb bound potential and increases withincreasing the confinement length not only at lower temperatures but also at higher temperatures.展开更多
The excitedstate intramolecular charge transfer of four oxazolo[4,5-b]pyridine derivatives with different electron donating and electron withdrawing groups was investigated using the time-dependent density functional ...The excitedstate intramolecular charge transfer of four oxazolo[4,5-b]pyridine derivatives with different electron donating and electron withdrawing groups was investigated using the time-dependent density functional theory. The vertical excitation energies and the electronic structures were explored. Their distinct properties of absorption and fluorescence spectra in solvent phase were explained according to the electronic coupling matrix elements calculated by the Mulliken-Hush theory. The sub-stituent on the oxazolo[4,5-b]pyridines will remarkably change their spectra properties and increase the first excited-state dipole moments. The effect of protonation on the absorption and fluorescence spectra was also investigated systematically. Our study suggests that the present method is feasible to explain charge transfer excitation and predict the properties of absorption and emission spectra in the studied systems.展开更多
基金Supported by National Natural Science Foundation of China under Grant No.10747002Research Funds from Qufu Normal University under Grant No.XJZ200839
文摘On the condition of electric-LO phonon strong coupling in a parabolic quantum dot,we obtain theeigenenergy and the eigenfunctions of the ground state and the first-excited state using the variational method ofPekar type.This system in a quantum dot may be employed as a two-level quantum system-qubit.When the electronis in the superposition state of the ground state and the first-excited state,we obtain the time evolution of the electrondensity.The relations of the probability density of electron on the temperature and the electron-LO-phonon couplingconstant and the relations of the period of oscillation on the temperature,the electron-LO-phonon coupling constant,the Coulomb binding parameter and the confinement length are derived.The results show that the probability densityof electron oscillates with a period when the electron is in the superposition state of the ground and the first-excitedstate,and show that there are different laws that the probability density of electron and the period of oscillation changewith the temperature and the electron-LO-phonon coupling constant when the temperature is lower or higher.Andit is obtained that the period of oscillation decreases with increasing the Coulomb bound potential and increases withincreasing the confinement length not only at lower temperatures but also at higher temperatures.
基金supported by the National Natural Science Foundation of China (20803059)Chongqing Municipal Natural Science Foundation(2009BB6002)
文摘The excitedstate intramolecular charge transfer of four oxazolo[4,5-b]pyridine derivatives with different electron donating and electron withdrawing groups was investigated using the time-dependent density functional theory. The vertical excitation energies and the electronic structures were explored. Their distinct properties of absorption and fluorescence spectra in solvent phase were explained according to the electronic coupling matrix elements calculated by the Mulliken-Hush theory. The sub-stituent on the oxazolo[4,5-b]pyridines will remarkably change their spectra properties and increase the first excited-state dipole moments. The effect of protonation on the absorption and fluorescence spectra was also investigated systematically. Our study suggests that the present method is feasible to explain charge transfer excitation and predict the properties of absorption and emission spectra in the studied systems.
