The total internal partition sums （TIPS） are calculated at the temperature up to 6000 K for 12 C16 02. Using the calculated partition functions, we produce the line intensities of v3 band of 12C1602 at several high ...The total internal partition sums （TIPS） are calculated at the temperature up to 6000 K for 12 C16 02. Using the calculated partition functions, we produce the line intensities of v3 band of 12C1602 at several high temperatures. The results show that the calculated line intensities are in very good agreement with those of HITRAN database at the temperature up to 3000 K, which provides a strong support for the calculations of TIPS and line intensities at high temperature. Then the calculation is extended to further high temperature, and the simulated spectra of u3 band of 12C1602 at 5000 and 6000 K are reported.展开更多
A B-spline with the symplectic algorithm method for the solution of time-dependent Schrodinger equations （TDSEs） is introduced. The spatial part of the wavefunction is expanded by B-spline and the time evolution is ...A B-spline with the symplectic algorithm method for the solution of time-dependent Schrodinger equations （TDSEs） is introduced. The spatial part of the wavefunction is expanded by B-spline and the time evolution is given in a symplectic scheme. This method allows us to obtain a highly accurate and stable solution of TDSEs. The effectiveness and efficiency of this method is demonstrated by the high-order harmonic spectra of one-dimensional atoms in comparison with other references.展开更多
The multisublattice Green＇s function technique is applied to study the magnetic properties of a mixed spin-2 and spin-5/2 Heisenberg ferrimagnetic system on a two-dimensional honeycomb lattice. The role of the differ...The multisublattice Green＇s function technique is applied to study the magnetic properties of a mixed spin-2 and spin-5/2 Heisenberg ferrimagnetic system on a two-dimensional honeycomb lattice. The role of the different interactions in the Hamiltonian is explored. When only the nearest-neighbor interaction and the single-ion anisotropy are included, our results indicate that there are compensation points at finite temperatures. When the next-nearest-neighbor interaction exceeds a minimum value that depends on the other parameters in the Hamiltonian, the compensation point disappears. The next-nearest-neighbor interaction has the effect of changing the compensation temperature.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
A system of three charged bosons confined in a harmonic trap has been investigated by an exact diagonalization. We report a calculation for the energy spectrum of the low-lying states of a system of three charged boso...A system of three charged bosons confined in a harmonic trap has been investigated by an exact diagonalization. We report a calculation for the energy spectrum of the low-lying states of a system of three charged bosons.The important feature of the low-lying states of three charged bosons in a harmonic trap is obtained via an analysis of the energy spectrum.展开更多
A study is presented on the modulation of ripples induced by a long surface wave (LW) and a new theoretical modula-tion model is proposed. In this model, the wind surface stress modulation is related to the modulation...A study is presented on the modulation of ripples induced by a long surface wave (LW) and a new theoretical modula-tion model is proposed. In this model, the wind surface stress modulation is related to the modulation of ripple spectrum. The model results show that in the case of LW propagating in the wind direction with the wave age parameter of LW increasing, the area with enhanced shear stress shifts from the region near the LW crest on the upwind slope to the LW trough. With a smaller wave age parameter of LW, the ripple modulation has the maximum on the upwind slope in the vicinity of LW crest, while with a larger parameter the enhancement of ripple spectrum does not occur in that region. At low winds the amplitude of ripple modulation transfer function (MTF) is larger in the gravity wave range, while at moderate or high winds it changes little in the range from short gravity waves to capillary waves.展开更多
We investigate the quasi-exact solutions of the Schrodinger wave equation for two-dimensional non-hermitian complex Hamiltonian systems within the frame work of an extended complex phase space characterized by x = x1 ...We investigate the quasi-exact solutions of the Schrodinger wave equation for two-dimensional non-hermitian complex Hamiltonian systems within the frame work of an extended complex phase space characterized by x = x1 ＋ ip3, y = x2 ＋ ip4, px= p1＋ ix3, py= p2 ＋ ix4. Explicit expressions of the energy eigenvalues and the eigenfunctions for ground and first excited states for a complex quartic potential are obtained. Eigenvalue spectra of some variants of the complex quartic potential, including PT-symmetrie one, are also worked out.展开更多
基金The project supported by National Natural Science Foundation of China under Grant No. 10676025, and the Research Fund for the Doctoral Program of High Education of China under Grant No. 20050610010
文摘The total internal partition sums （TIPS） are calculated at the temperature up to 6000 K for 12 C16 02. Using the calculated partition functions, we produce the line intensities of v3 band of 12C1602 at several high temperatures. The results show that the calculated line intensities are in very good agreement with those of HITRAN database at the temperature up to 3000 K, which provides a strong support for the calculations of TIPS and line intensities at high temperature. Then the calculation is extended to further high temperature, and the simulated spectra of u3 band of 12C1602 at 5000 and 6000 K are reported.
基金Supported by the National Natural Science Foundation of China under Grant No 10374119, and the 0ne-Hundred-Talents Project of Chinese Academy of Science. ACKN0WLEDGMENTS： We gratefully acknowledge Professors Ding Peizhu and Liu Xueshen for their hospitality and help with the symplectic al- gorithm.
文摘A B-spline with the symplectic algorithm method for the solution of time-dependent Schrodinger equations （TDSEs） is introduced. The spatial part of the wavefunction is expanded by B-spline and the time evolution is given in a symplectic scheme. This method allows us to obtain a highly accurate and stable solution of TDSEs. The effectiveness and efficiency of this method is demonstrated by the high-order harmonic spectra of one-dimensional atoms in comparison with other references.
基金The project supported by National Natural Science Foundation of China under Grant Nos. 10574048 and 20490210
文摘The multisublattice Green＇s function technique is applied to study the magnetic properties of a mixed spin-2 and spin-5/2 Heisenberg ferrimagnetic system on a two-dimensional honeycomb lattice. The role of the different interactions in the Hamiltonian is explored. When only the nearest-neighbor interaction and the single-ion anisotropy are included, our results indicate that there are compensation points at finite temperatures. When the next-nearest-neighbor interaction exceeds a minimum value that depends on the other parameters in the Hamiltonian, the compensation point disappears. The next-nearest-neighbor interaction has the effect of changing the compensation temperature.
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.
文摘A system of three charged bosons confined in a harmonic trap has been investigated by an exact diagonalization. We report a calculation for the energy spectrum of the low-lying states of a system of three charged bosons.The important feature of the low-lying states of three charged bosons in a harmonic trap is obtained via an analysis of the energy spectrum.
基金supported by the National Natural Science Foundation of China (Nos. 4047601 and U0933001)the Key Program of National Natural Science Foundation of China (No. 40830959)
文摘A study is presented on the modulation of ripples induced by a long surface wave (LW) and a new theoretical modula-tion model is proposed. In this model, the wind surface stress modulation is related to the modulation of ripple spectrum. The model results show that in the case of LW propagating in the wind direction with the wave age parameter of LW increasing, the area with enhanced shear stress shifts from the region near the LW crest on the upwind slope to the LW trough. With a smaller wave age parameter of LW, the ripple modulation has the maximum on the upwind slope in the vicinity of LW crest, while with a larger parameter the enhancement of ripple spectrum does not occur in that region. At low winds the amplitude of ripple modulation transfer function (MTF) is larger in the gravity wave range, while at moderate or high winds it changes little in the range from short gravity waves to capillary waves.
文摘We investigate the quasi-exact solutions of the Schrodinger wave equation for two-dimensional non-hermitian complex Hamiltonian systems within the frame work of an extended complex phase space characterized by x = x1 ＋ ip3, y = x2 ＋ ip4, px= p1＋ ix3, py= p2 ＋ ix4. Explicit expressions of the energy eigenvalues and the eigenfunctions for ground and first excited states for a complex quartic potential are obtained. Eigenvalue spectra of some variants of the complex quartic potential, including PT-symmetrie one, are also worked out.
