Our lattice dynamics simulation of Xe-hydrate with four-site TIP4P oxygen-shell model can accurately reproduce each peak position in the inelastic incoherent neutron scattering spectrum at the acoustic band （below 15...Our lattice dynamics simulation of Xe-hydrate with four-site TIP4P oxygen-shell model can accurately reproduce each peak position in the inelastic incoherent neutron scattering spectrum at the acoustic band （below 15 meV） and yield correct relative intensity. Based on the results, the uncertain profile at ～6 meV is assigned to anharmonic guest modes coupled strongly to small cages. Blue shift is proposed in phonon dispersion sheet in the case of anticrossing and found to be an evident signal for guest-host coupling that explains the anomalous thermal conductivity of clathrate hydrate.展开更多
The B-spline expansion technique is applied to study the anticrossings for potassium Rydberg states in a static electric field. The results of our calculation indicate that the antierossings are caused mainly by the c...The B-spline expansion technique is applied to study the anticrossings for potassium Rydberg states in a static electric field. The results of our calculation indicate that the antierossings are caused mainly by the core interaction or by the fine structure interaction. Our results for the positions and the widths of the anticrossings are in good agreement with experimental data.展开更多
We propose a universal analytical method of studying the dynamics of a multi-anticrossing system subjected to driving by a single large-amplitude triangle pulse, within a time scale smaller than the dephasing time. Ou...We propose a universal analytical method of studying the dynamics of a multi-anticrossing system subjected to driving by a single large-amplitude triangle pulse, within a time scale smaller than the dephasing time. Our approach can explain the main features of the Landau-Zener St/ickelberg interference patterns recently observed in a tripartite system ]Nature Communications 1 51 （2010）]. In particular, we focus on the effect of the size of the anticrossing on interference and compare the calculated interference patterns with numerical simulations. In addition, a Fourier transform of the patterns can extract the information about the energy level spectrum.展开更多
As a key factor leading to the pressure-dependent R1-line-shift reversal and R1-state lifetime, at 10 K, the pressure-dependent variation of mixing-degree of ｜t2^2（^3T1）e^4T2） and ｜t2^32E〉 base-wavefunetions in ...As a key factor leading to the pressure-dependent R1-line-shift reversal and R1-state lifetime, at 10 K, the pressure-dependent variation of mixing-degree of ｜t2^2（^3T1）e^4T2） and ｜t2^32E〉 base-wavefunetions in the wavefunction of R1 state of LLGG：Cr^3＋ has been calculated and analyzed. From this, the physical origin of the pressure-dependent R1-line-shift reversal has been revealed. Furthermore, by using the pressure-dependent values of the sum of all square mixlng-coefficients of ｜t2^2 （^3T1）e^4T2〉 in the wavefunction of R1 state, the lifetimes of R1 state of LLG G：Cr^3＋ at various pressures have been calculat, ed, which arc in good agreement with observed results. The quantum anticrossing effect between t2^32E and t2^2 （^3T1）e^4T2 levels due to both spin-orbital interaction and electron-phonon interaction is remarkable, which is related to the admixture of ｜t2^2（^3T1）e^4T2） and ｜t2^32E〉 as well as the low high crystal-field transition.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant No 10474085)
文摘Our lattice dynamics simulation of Xe-hydrate with four-site TIP4P oxygen-shell model can accurately reproduce each peak position in the inelastic incoherent neutron scattering spectrum at the acoustic band （below 15 meV） and yield correct relative intensity. Based on the results, the uncertain profile at ～6 meV is assigned to anharmonic guest modes coupled strongly to small cages. Blue shift is proposed in phonon dispersion sheet in the case of anticrossing and found to be an evident signal for guest-host coupling that explains the anomalous thermal conductivity of clathrate hydrate.
基金The project supported by National Natural Science Foundation of China under Grant No. 10274063 and the Foundation of Science and Technology Research of the Ministry of Education of China under Grant No. 03126
文摘The B-spline expansion technique is applied to study the anticrossings for potassium Rydberg states in a static electric field. The results of our calculation indicate that the antierossings are caused mainly by the core interaction or by the fine structure interaction. Our results for the positions and the widths of the anticrossings are in good agreement with experimental data.
基金Project supported by the State Key Program for Basic Research of China (Grant No. 2006CB921801)the National Natural Science Foundation of China (Grant No. 10725415)the Natural Science Foundation of Jangsu Province,China (Grant No. BK2010012)
文摘We propose a universal analytical method of studying the dynamics of a multi-anticrossing system subjected to driving by a single large-amplitude triangle pulse, within a time scale smaller than the dephasing time. Our approach can explain the main features of the Landau-Zener St/ickelberg interference patterns recently observed in a tripartite system ]Nature Communications 1 51 （2010）]. In particular, we focus on the effect of the size of the anticrossing on interference and compare the calculated interference patterns with numerical simulations. In addition, a Fourier transform of the patterns can extract the information about the energy level spectrum.
文摘As a key factor leading to the pressure-dependent R1-line-shift reversal and R1-state lifetime, at 10 K, the pressure-dependent variation of mixing-degree of ｜t2^2（^3T1）e^4T2） and ｜t2^32E〉 base-wavefunetions in the wavefunction of R1 state of LLGG：Cr^3＋ has been calculated and analyzed. From this, the physical origin of the pressure-dependent R1-line-shift reversal has been revealed. Furthermore, by using the pressure-dependent values of the sum of all square mixlng-coefficients of ｜t2^2 （^3T1）e^4T2〉 in the wavefunction of R1 state, the lifetimes of R1 state of LLG G：Cr^3＋ at various pressures have been calculat, ed, which arc in good agreement with observed results. The quantum anticrossing effect between t2^32E and t2^2 （^3T1）e^4T2 levels due to both spin-orbital interaction and electron-phonon interaction is remarkable, which is related to the admixture of ｜t2^2（^3T1）e^4T2） and ｜t2^32E〉 as well as the low high crystal-field transition.
