正方体量子台球的半经典分析(英文)

近几年,量子台球问题引起人们的广泛兴趣.以前有很多对二维量子台球做过研究,相对于二维台球来说,三维台球更接近实际体系.本文以三维正方体量子台球为例,利用半经典闭合轨道理论计算了正方体量子台球中的经典开轨道,并研究量子谱函数与经典轨道长度之间的对应关系,发现他们之间对应的很好.这将有助于我们分析开放型量子台球中输运性质问题.利用这种方法物理图像清晰,计算量小并且可以帮助理解一些混沌体系的性质.这是半经典理论为联系量子力学与经典力学起桥梁作用的又一证明.     

外开槽同轴波导大轨道回旋自谐振脉塞放大器

 运用大轨道电子束,对外开槽同轴波导回旋自谐振放大器进行了线性动力学理论分析和非线性自洽模型模拟。由线性动力学理论分析和非线性模拟得到的结果在线性增长部分吻合得很好。为了有效抑制绝对不稳定性,对电子束流的选择进行了讨论。计算结果表明：对于电压为700 kV, 电流为100 A, 电子束纵横向速度比为0.8的大轨道电子束, TE₅₁外开槽同轴波导回旋自谐振脉塞放大器的峰值功率和峰值效率分别可以达到6.27 MW和8.96%。     

Classifying the ground-state phases of spin–orbit coupled spin-2 Bose–Einstein condensate in momentum space

The ground-state phases of two-dimensional spin-2 Bose–Einstein condensate with Rashba spin–orbit coupling are studied. For the equal strengths of the density-density interaction and the spin-exchange interaction, we classify the ground-state phases into four types of stable phases with spin–orbit coupling and spin singlet-pairing interaction in momentum space, i.e., the ring phase, the stripe phase, the triangular phase and the square phase. With increasing the spin–orbit coupling strength, the system undergoes a sequence phase transitions from the ring phase to the stripe phase, and to the square phase for the attractive spin singlet-pairing interaction ($c_2<0$), and the system undergoes a sequence phase transitions from the ring phase to the stripe phase, to the triangular phase, and to the square phase for the repulsive spin singlet-pairing interaction ($c_2>0$).     

Influence of spin–orbit interaction,Zeeman effect and light polarisation on the electronic and optical properties of pseudo-elliptic quantum rings under magnetic field

ABSTRACT

We theoretically investigated the influences of the magnetic field and light polarisation on the electronic and optical properties of a GaAs/GaAlAs pseudo-elliptic quantum ring, modelled by an outer ellipsis and an inner circle, in the presence of the Rashba and Dresselhaus spin–orbit interactions and Zeeman effect. We show that Aharonov-Bohm oscillations of the energy spectrum are not affected by the presence of the Zeeman effect alone but, in the presence of Rashba and Dresselhaus spin–orbit couplings, the periodicity of certain levels becomes hardly definite. The Zeeman effect generally enhances/diminishes the separation levels produced by Rashba/Dresselhaus interactions (SOI) and when both types of SOI are considered, the effect depends on their relative strength. The magnetic field can trigger spin-flip for each type of spin–orbit interaction and Zeeman effect or their combination through anticrossings in the energy spectra. Our results reveal that the absorption spectra are very sensitive to the magnetic field and light polarisation. For all polarisations considered, the magnetic field increment leads to the redshift or blueshift of some particular peaks (an effect of this ring geometry) and a better separation of the peaks. The x-polarised light determines spectra with many small, but separated peaks while the circular polarised light leads to spectra with large peaks of high amplitude.     

Flow equivalence and orbit equivalence for shifts of finite type and isomorphism of their groupoids

We give conditions for when continuous orbit equivalence of one-sided shift spaces implies flow equivalence of the associated two-sided shift spaces. Using groupoid techniques, we prove that this is always the case for shifts of finite type. This generalises a result of Matsumoto and Matui from the irreducible to the general case. We also prove that a pair of one-sided shift spaces of finite type are continuously orbit equivalent if and only if their groupoids are isomorphic, and that the corresponding two-sided shifts are flow equivalent if and only if the groupoids are stably isomorphic. As applications we show that two finite directed graphs with no sinks and no sources are move equivalent if and only if the corresponding graph $C^{?}$-algebras are stably isomorphic by a diagonal-preserving isomorphism (if and only if the corresponding Leavitt path algebras are stably isomorphic by a diagonal-preserving isomorphism), and that two topological Markov chains are flow equivalent if and only if there is a diagonal-preserving isomorphism between the stabilisations of the corresponding Cuntz–Krieger algebras (the latter generalises a result of Matsumoto and Matui about irreducible topological Markov chains with no isolated points to a result about general topological Markov chains). We also show that for general shift spaces, strongly continuous orbit equivalence implies two-sided conjugacy.     

Development of spin‐orbit coupling for stochastic configuration interaction techniques

To perform spin‐orbit coupling calculations on atoms and molecules, good zeroth‐order wavefunctions are necessary. Here, we present the software development of the Monte Carlo Configuration Interaction (MCCI) method, to enable calculation of such properties, where MCCI iteratively constructs a multireference wavefunction using a stochastic procedure. In this initial work, we aim to establish the efficacy of this technique in predicting the splitting of otherwise degenerate energy levels on a range of atoms and small diatomic molecules. It is hoped that this work will subsequently act as a gateway toward using this method to investigate singlet‐triplet interactions in larger multireference molecules. We show that MCCI can generate very good results using highly compact wavefunctions compared to other techniques, with no prior knowledge of important orbitals. Higher‐order relativistic effects are neglected and spin‐orbit coupling effects are incorporated using first‐order degenerate perturbation theory with the Breit‐Pauli Hamiltonian and effective nuclear charges in the one‐electron operator. Results are obtained and presented for B, C, O, F, Si, S, and Cl atoms and OH, CN, NO, and C₂ diatomic radicals including spin‐orbit coupling constants and the relative splitting of the lowest energy degenerate state for each species. Convergence of MCCI to the full configuration interaction result is demonstrated on the multireference problem of stretched OH. We also present results from the singlet‐triplet interaction between the and both the and states of the O₂ molecule. © 2017 Wiley Periodicals, Inc.     

All‐electron relativistic computations on the low‐lying electronic states,bond length,and vibrational frequency of CeF diatomic molecule with spin–orbit coupling effects

Ab initio all‐electron computations have been carried out for Ce⁺ and CeF, including the electron correlation, scalar relativistic, and spin–orbit coupling effects in a quantitative manner. First, the n‐electron valence state second‐order multireference perturbation theory (NEVPT2) and spin–orbit configuration interaction (SOCI) based on the state‐averaged restricted active space multiconfigurational self‐consistent field (SA‐RASSCF) and state‐averaged complete active space multiconfigurational self‐consistent field (SA‐CASSCF) wavefunctions have been applied to evaluations of the low‐lying energy levels of Ce⁺ with [Xe]4f¹5d¹6s¹ and [Xe]4f¹5d² configurations, to test the accuracy of several all‐electron relativistic basis sets. It is shown that the mixing of quartet and doublet states is essential to reproduce the excitation energies. Then, SA‐RASSCF(CASSCF)/NEVPT2 + SOCI computations with the Sapporo(‐DKH3)‐2012‐QZP basis set were carried out to determine the energy levels of the low‐lying electronic states of CeF. The calculated excitation energies, bond length, and vibrational frequency are shown to be in good agreement with the available experimental data. © 2018 Wiley Periodicals, Inc.     

Accurate spectroscopic constants of the lowest three electronic states in halonitrenes with multireference configuration interaction

Internally contracted multireference configuration interaction (icMRCI) calculations of the ground state (X³Σ⁻), the first excited state (a¹Δ) as well as the second excited state (b¹Σ⁺) have been performed for a series of halogenated nitrenes NXs (X = Cl, Br, and I). Accurate spectroscopic constants of these lowest three electronic states of each NX were obtained in this work using MRCI methods with aug‐cc‐pVXZ (X = T, Q, 5) basis sets and complete basis set (CBS) limit. In addition, various corrections, including the Davidson correction, scalar relativistic effect, core‐valence correlation, and spin‐orbit coupling effect, have been studied in calculating spectroscopic constants, especially for heavy‐atom nitrenes. Comparisons have been made with previous computational and experimental results where available. The icMRCI + Q calculations presented in this work provide a comprehensive series of results at a consistent high level of theory for all of the halogenated nitrenes.     

Tauberian theorems and stability of solutions of the Cauchy problem

Let be a bounded, strongly measurable function with values in a Banach space , and let be the singular set of the Laplace transform in . Suppose that is countable and uniformly for , as , for each in . It is shown that

as , for each in ; in particular, if is uniformly continuous. This result is similar to a Tauberian theorem of Arendt and Batty. It is obtained by applying a result of the authors concerning local stability of bounded semigroups to the translation semigroup on , and it implies several results concerning stability of solutions of Cauchy problems.