Using the closed orbit theory, the photodetachment cross section of H- near a dielectric surface has been derived and calculated. The results show that the dielectric surface has great influence on the photodetachment...Using the closed orbit theory, the photodetachment cross section of H- near a dielectric surface has been derived and calculated. The results show that the dielectric surface has great influence on the photodetachment process of negative ion near the ionization threshold. Above the ionization threshold, the photodetachment cross section starts to oscillate. With the increase of the energy, the oscillating amplitude decreases and the oscillating frequency increases. The oscillation in the photodetachment cross section of H- in the presence of a dielectric surface is either larger or smaller than the photodetachment of H- without the surface. As the photon energy is larger than the critical value Epc, the oscillatory structure disappeared and the cross section approaches to the case of the photodetachment of H- without any external fields. For a given detached-electron energy, the photodetachment cross section becomes decreased with the increase of the ion-surface distance. Besides, the dielectric constant has great influence on the photodetachment of H-. With the increase of the dielectric constant, the oscillation in the cross section becomes increased. As the dielectric constant increases to infinity, the cross section is the same as the photodetachment of H- near a metal surface. This study provides a new understanding on the photodetachment process of H- in the presence of a dielectric surface.展开更多
The electronic spectroscopy of H2X （X=O, Te, Po） was investigated by means of spinorbit configuration interaction （EPCISO） and restricted active space state interaction （SORASSI）. The transition energies to the ...The electronic spectroscopy of H2X （X=O, Te, Po） was investigated by means of spinorbit configuration interaction （EPCISO） and restricted active space state interaction （SORASSI）. The transition energies to the low-lying singlet and triplet states of H2O, in which the SO interaction is zero, compare rather well with the experimental data as well as to other theoretical values. The theoretical electronic absorption spectrum is characterized by three allowed transitions A^1B1 （2px（O）→σ^＊g/3s（O））, B^1A1（σg→σ^＊g/3s（O）） and A^1S2（σg→σ^＊u） calculated at 7.68, 9.94, and 11.72 eV, respectively. The theoretical absorption spectra of H2X （X=Te, Po） are shifted to the red with the A^1B1 （npx（X）→σ^＊g） states calculated at 5.06 eV （H2Te） and 4.40 eV （H2Po） and the A^1B2 （σg→σ^＊u） states calculated at 7.89 eV （H2Te） and 7.77 eV （H2Po）. The largest SO splitting amounts to 0.34 eV and is found for the lowest a^3A1 of H2Po. In H2Te the SO effects are still negligible with a maximum splitting of 0.04 eV for the lowest a^3B2. The two methods lead to comparable results but the EPCISO approach depends strongly on the reference wavefunction.展开更多
We revisit the harmonic approximation (HA) for a large Josephson junction interacting with some charge qubits through the variational approach for the quantum dynamics of the junction-qubit coupling system. By making ...We revisit the harmonic approximation (HA) for a large Josephson junction interacting with some charge qubits through the variational approach for the quantum dynamics of the junction-qubit coupling system. By making use of numerical calculation and analytical treatment, the conditions under which HA works well can be precisely presented to control the parameters implementing the two-qubit quantum logical gate through the couplings to the large junction with harmonic oscillator Hamiltonian.展开更多
We determine structure parameters of the highest occupied molecular orbital(HOMO)of 27 dimers for the molecular tunneling ionization(so called MO-ADK)model of Tong et al.[Phys.Rev.A 66(2002)033402].The molecular wave ...We determine structure parameters of the highest occupied molecular orbital(HOMO)of 27 dimers for the molecular tunneling ionization(so called MO-ADK)model of Tong et al.[Phys.Rev.A 66(2002)033402].The molecular wave functions with correct asymptotic behavior are obtained by solving the time-independent Schr(o|¨)dinger equation with B-spline functions and molecular potentials which are numerically created using the density functional theory.We examine the alignment-dependent tunneling ionization probabilities from MO-ADK model for several molecules by comparing with the molecular strong-field approximation(MO-SFA)calculations.We show the molecular PerelomovPopov-Terent'ev(MO-PPT)can successfully give the laser wavelength dependence of ionization rates(or probabilities).Based on the MO-PPT model,two diatomic molecules having valence orbital with antibonding systems(i.e.,Cl_2,Ne_2)show strong ionization suppression when compared with their corresponding closest companion atoms.展开更多
基金Supported by National Natural Science Foundation of China under Grant No. 10604045the University Science & Technology Planning Program of Shandong Province under Grant No. J09LA02+1 种基金the Education Department Foundation of Shandong Province under Grant No. J08LI03 the Discipline Construction Fund of Ludong University
文摘Using the closed orbit theory, the photodetachment cross section of H- near a dielectric surface has been derived and calculated. The results show that the dielectric surface has great influence on the photodetachment process of negative ion near the ionization threshold. Above the ionization threshold, the photodetachment cross section starts to oscillate. With the increase of the energy, the oscillating amplitude decreases and the oscillating frequency increases. The oscillation in the photodetachment cross section of H- in the presence of a dielectric surface is either larger or smaller than the photodetachment of H- without the surface. As the photon energy is larger than the critical value Epc, the oscillatory structure disappeared and the cross section approaches to the case of the photodetachment of H- without any external fields. For a given detached-electron energy, the photodetachment cross section becomes decreased with the increase of the ion-surface distance. Besides, the dielectric constant has great influence on the photodetachment of H-. With the increase of the dielectric constant, the oscillation in the cross section becomes increased. As the dielectric constant increases to infinity, the cross section is the same as the photodetachment of H- near a metal surface. This study provides a new understanding on the photodetachment process of H- in the presence of a dielectric surface.
文摘The electronic spectroscopy of H2X （X=O, Te, Po） was investigated by means of spinorbit configuration interaction （EPCISO） and restricted active space state interaction （SORASSI）. The transition energies to the low-lying singlet and triplet states of H2O, in which the SO interaction is zero, compare rather well with the experimental data as well as to other theoretical values. The theoretical electronic absorption spectrum is characterized by three allowed transitions A^1B1 （2px（O）→σ^＊g/3s（O））, B^1A1（σg→σ^＊g/3s（O）） and A^1S2（σg→σ^＊u） calculated at 7.68, 9.94, and 11.72 eV, respectively. The theoretical absorption spectra of H2X （X=Te, Po） are shifted to the red with the A^1B1 （npx（X）→σ^＊g） states calculated at 5.06 eV （H2Te） and 4.40 eV （H2Po） and the A^1B2 （σg→σ^＊u） states calculated at 7.89 eV （H2Te） and 7.77 eV （H2Po）. The largest SO splitting amounts to 0.34 eV and is found for the lowest a^3A1 of H2Po. In H2Te the SO effects are still negligible with a maximum splitting of 0.04 eV for the lowest a^3B2. The two methods lead to comparable results but the EPCISO approach depends strongly on the reference wavefunction.
基金the Cooperation Foundation of Nankai University，Tianjin University for research of nanoscience，国家自然科学基金
文摘We revisit the harmonic approximation (HA) for a large Josephson junction interacting with some charge qubits through the variational approach for the quantum dynamics of the junction-qubit coupling system. By making use of numerical calculation and analytical treatment, the conditions under which HA works well can be precisely presented to control the parameters implementing the two-qubit quantum logical gate through the couplings to the large junction with harmonic oscillator Hamiltonian.
基金Supported by National Natural Science Foundation of China under Grant Nos.11164025,11264036,11465016,11364038the Specialized Research Fund for the Doctoral Program of Higher Education of China under Grant No.20116203120001the Basic Scientific Research Foundation for Institution of Higher Learning of Gansu Province
文摘We determine structure parameters of the highest occupied molecular orbital(HOMO)of 27 dimers for the molecular tunneling ionization(so called MO-ADK)model of Tong et al.[Phys.Rev.A 66(2002)033402].The molecular wave functions with correct asymptotic behavior are obtained by solving the time-independent Schr(o|¨)dinger equation with B-spline functions and molecular potentials which are numerically created using the density functional theory.We examine the alignment-dependent tunneling ionization probabilities from MO-ADK model for several molecules by comparing with the molecular strong-field approximation(MO-SFA)calculations.We show the molecular PerelomovPopov-Terent'ev(MO-PPT)can successfully give the laser wavelength dependence of ionization rates(or probabilities).Based on the MO-PPT model,two diatomic molecules having valence orbital with antibonding systems(i.e.,Cl_2,Ne_2)show strong ionization suppression when compared with their corresponding closest companion atoms.
