Efficient simulation of one-dimensional quantum many-body systems

We present a numerical method to simulate the time evolution, according to a generic Hamiltonian made of local interactions, of quantum spin chains and systems alike. The efficiency of the scheme depends on the amount of entanglement involved in the simulated evolution. Numerical analysis indicates that this method can be used, for instance, to efficiently compute time-dependent properties of low-energy dynamics in sufficiently regular but otherwise arbitrary one-dimensional quantum many-body systems. As by-products, we describe two alternatives to the density matrix renormalization group method.     

Threshold singularities in the dynamic response of gapless integrable models

We develop a method of an asymptotically exact treatment of threshold singularities in dynamic response functions of gapless integrable models. The method utilizes the integrability to recast the original problem in terms of the low-energy properties of a certain deformed Hamiltonian. The deformed Hamiltonian is local; hence, it can be analyzed using the conventional field theory methods. We apply the technique to spinless fermions on a lattice with nearest-neighbors repulsion, and evaluate the exponent characterizing the threshold singularity in the dynamic structure factor.     

奇质量核的超越平均场玻色子费米子模型描述(英文)

对近年发展起来的一个基于核密度泛函理论和粒子核心耦合方案来计算中重质量奇A核谱性质的理论方法进行了评述。该方法首先在平均场层面通过选择合适的能量密度泛函和对力结构来自洽求解偶偶核心的势能曲面、球单粒子能级和奇粒子占有率,进一步将得到的结果作为微观输入来建立相互作用玻色子费米子模型哈密顿量,其中三个与粒子核心耦合强度相关的参数需要通过拟合一些特定奇质量核低激发谱数据来最终确定。通过对轴形变奇质量Eu同位素的低激发能谱和电磁跃迁几率的系统研究来说明该模型方法的有效性。另外,还讨论了该方法在描述轴形变奇质量核形状相变以及描述丰中子奇质量Ba同位素中八极关联方面的应用。A recently developed method for calculating spectroscopic properties of medium-mass and heavy atomic nuclei with an odd number of nucleons is reviewed, that is based on the framework of nuclear energy density functional theory and the particle-core coupling scheme. The deformation energy surface of the eveneven core, as well as the spherical single-particle energies and occupation probabilities of the odd particle(s), are obtained by a self-consistent mean-field calculation with the choice of the energy density functional and pairing properties. These quantities are then used as a microscopic input to build the interacting bosonfermion Hamiltonian. Only three strength parameters for the particle-core coupling are specifically adjusted to selected data for the low-lying states of a particular odd-mass nucleus. The method is illustrated in a systematic study of low-energy excitation spectra and electromagnetic transition rates of axially-deformed odd-mass Eu isotopes. Recent applications of the method, to the calculations of the signatures of shapes phase transitions in axially-deformed odd-mass nuclei, octupole correlations in neutron-rich odd-mass Ba isotopes, are discussed.     

Structure of A = 3 nuclear systems using realistic Hamiltonians

The structure of A = 3 low-energy scattering states is described using the hyperspherical harmonics method with realistic Hamiltonian models, consisting of two- and three-nucleon interactions. Both coordinate and momentum space two-nucleon potential models are considered.     

Analytical results on the magnetization of the Hamiltonian Mean-Field model

The violent relaxation and the metastable states of the Hamiltonian Mean-Field model, a paradigmatic system of long-range interactions, is studied using a Hamiltonian formalism. Rigorous results are derived algebraically for the time evolution of selected macroscopic observables, e.g., the global magnetization. The high- and low-energy limits are investigated and the analytical predictions are compared with direct N-body simulations. The method we use enables us to re-interpret the out-of-equilibrium phase transition separating magnetized and (almost) unmagnetized regimes.     

Construction and solution of a Wannier-functions based Hamiltonian in the pseudopotential plane-wave framework for strongly correlated materials

Ab initio determination of model Hamiltonian parameters for strongly correlated materials is a key issue in applying many-particle theoretical tools to real narrow-band materials. We propose a selfcontained calculation scheme to construct, with an ab initio approach, and solve such a Hamiltonian. The scheme uses a Wannier-function-basis set, with the Coulomb interaction parameter U obtained specifically for theseWannier functions via constrained Density functional theory (DFT) calculations. The Hamiltonian is solved by Dynamical Mean-Field Theory (DMFT) with the effective impurity problem treated by the Quantum Monte Carlo (QMC) method. Our scheme is based on the pseudopotential plane-wave method, which makes it suitable for developments addressing the challenging problem of crystal structural relaxations and transformations due to correlation effects. We have applied our scheme to the “charge transfer insulator” material nickel oxide and demonstrate a good agreement with the experimental photoemission spectra.     

Solving the time-dependent Schrödinger equation by combining smooth exterior complex scaling and Arnoldi propagator

Abstract We develop a highly efficient scheme for numerically solving the three-dimensional time-dependent Schr?dinger equation of the single-active-electron atom in the field of laser pulses by combining smooth exterior complex scaling(SECS)absorbing method and Arnoldi propagation method.Such combination has not been reported in the literature.The proposed scheme is particularly useful in the applications involving long-time wave propagation.The SECS is a wonderful absorber,but its application results in a non-Hermitian Hamiltonian,invalidating propagators utilizing the Hermitian symmetry of the Hamiltonian.We demonstrate that the routine Arnoldi propagator can be modified to treat the non-Hermitian Hamiltonian.The efficiency of the proposed scheme is checked by tracking the time-dependent electron wave packet in the case of both weak extreme ultraviolet(XUV)and strong infrared(IR)laser pulses.Both perfect absorption and stable propagation are observed.     

构造哈密尔顿系统jet辛差分格式的生成函数法

考虑哈密尔顿系统的保结构算法,在经典哈密尔顿系统的jet辛算法的基础上,给出了一般哈密尔顿系统的jet辛差分格式的定义.并利用带有变系数辛矩阵的一般哈密尔顿系统中的构造辛差分格式的生成函数法的思想,来建立由一般的反对称矩阵所确定的微分二形式与生成函数的关系,再利用哈密尔顿-雅可比方程来构造jet辛的差分格式.     

Schrieffer–Wolff transformation for quantum many-body systems

The Schrieffer–Wolff (SW) method is a version of degenerate perturbation theory in which the low-energy effective Hamiltonian is obtained from the exact Hamiltonian by a unitary transformation decoupling the low-energy and high-energy subspaces. We give a self-contained summary of the SW method with a focus on rigorous results. We begin with an exact definition of the SW transformation in terms of the so-called direct rotation between linear subspaces. From this we obtain elementary proofs of several important properties of such as the linked cluster theorem. We then study the perturbative version of the SW transformation obtained from a Taylor series representation of the direct rotation. Our perturbative approach provides a systematic diagram technique for computing high-order corrections to . We then specialize the SW method to quantum spin lattices with short-range interactions. We establish unitary equivalence between effective low-energy Hamiltonians obtained using two different versions of the SW method studied in the literature. Finally, we derive an upper bound on the precision up to which the ground state energy of the nth-order effective Hamiltonian approximates the exact ground state energy.     

NiO: correlated band structure of a charge-transfer insulator

The band structure of the prototypical charge-transfer insulator NiO is computed by using a combination of an ab initio band structure method and the dynamical mean-field theory with a quantum Monte-Carlo impurity solver. Employing a Hamiltonian which includes both Ni d and O p orbitals we find excellent agreement with the energy bands determined from angle-resolved photoemission spectroscopy. This brings an important progress in a long-standing problem of solid-state theory. Most notably we obtain the low-energy Zhang-Rice bands with strongly k-dependent orbital character discussed previously in the context of low-energy model theories.     

Retardation effects from quark confinement on low-energy nucleon dynamics

We investigate effects from quark confinement on low-energy nucleon dynamics. These effects are shown to give rise to a peculiar dynamical situation: Low-energy nucleon dynamics is not Hamiltonian and is governed by a nonlocal-in-time interaction operator. In the leading order of the two-nucleon EFT we show that after renormalization the nucleon dynamics is governed by the same interaction operator.     

Symplectic wavelet collocation method for Hamiltonian wave equations

This paper introduces a novel symplectic wavelet collocation method for solving nonlinear Hamiltonian wave equations. Based on the autocorrelation functions of Daubechies compactly supported scaling functions, collocation method is conducted for the spatial discretization, which leads to a finite-dimensional Hamiltonian system. Then, appropriate symplectic scheme is employed for the integration of the Hamiltonian system. Under the hypothesis of periodicity, the properties of the resulted space differentiation matrix are analyzed in detail. Conservation of energy and momentum is also investigated. Various numerical experiments show the effectiveness of the proposed method.     

Quantum simulation of many-body Hamiltonians using perturbation theory with bounded-strength interactions

We show how to map a given n-qubit target Hamiltonian with bounded-strength k-body interactions onto a simulator Hamiltonian with two-body interactions, such that the ground-state energy of the target and the simulator Hamiltonians are the same up to an extensive error O(epsilon n) for arbitrary small epsilon. The strength of the interactions in the simulator Hamiltonian depends on epsilon and k but does not depend on n. We accomplish this reduction using a new way of deriving an effective low-energy Hamiltonian which relies on the Schrieffer-Wolff transformation of many-body physics.     

An exploration of multiresolution symplectic scheme for wave propagation using second-generation wavelets

A multiresolution symplectic scheme (MSS) based on second-generation wavelets (SGWs) and a Hamiltonian formulation, so-called MSS-S, is proposed to simulate wave propagation (WP). The problem is solved in multiresolution symplectic geometry space under the conservative Hamiltonian rather than the traditional Lagrange approach. Due to the fascinating properties of the SGWs and the symplectic scheme, MSS-S proves to be a promising method, with advantages of small computational burden, robustness and facility of long time simulation.     

The Liouville integrable coupling system of the m-AKNS hierarchy and its Hamiltonian structure

In this paper a type of 9-dimensional vector loop algebra \tilde{F} is constructed, which is devoted to establish an isospectral problem. It follows that a Liouville integrable coupling system of the m-AKNS hierarchy is obtained by employing the Tu scheme, whose Hamiltonian structure is worked out by making use of constructed quadratic identity. The method given in the paper can be used to obtain many other integrable couplings and their Hamiltonian structures.     

键长-键角和Radau坐标下哈密顿算符在傅里叶基组表象下的厄米性

在量子动力学计算中,有时候为了规避奇点问题或者节省计算量,我们经常需要对哈密顿量进行变换. 然而,在使用傅里叶基矢计算时,哈密顿量的变换形式容易导致哈密顿矩阵失去厄米性,进而有些情况下使数值计算变得不稳定. 本文主要讨论构建具有厄米性的哈密顿算符的方法. 以三原子分子为例,构建了键长—键角和Radau坐标下描述分子运动的各种形式的哈密顿量. 基于这些哈密顿量,采用含时波包方法计算了OClO分子的吸收光谱,讨论了非厄米性矩阵对计算结果的影响. 本文所得到的结论对基于基函数展开的量子动力学计算都是适用的.     

Enhancement of feasibility of macroscopic quantum superposition state with the quantum Rabi-Stark model

We propose an efficient scheme to generate a macroscopical quantum superposition state with a cavity optomechanical system, which is composed of a quantum Rabi-Stark model coupling to a mechanical oscillator. In a low-energy subspace of the Rabi-Stark model, the dressed states and then the effective Hamiltonian of the system are given. Due to the coupling of the mechanical oscillator and the atom-cavity system, if the initial state of the atom-cavity system is one of the dressed states, the mechanical oscillator will evolve into a corresponding coherent state. Thus, if the initial state of the atom-cavity system is a superposition of two dressed states, a coherent state superposition of the mechanical oscillator can be generated. The quantum coherence and their distinguishable properties of the two coherent states are exhibited by Wigner distribution. We show that the Stark term can enhance significantly the feasibility and quantum coherence of the generated macroscopic quantum superposition state of the oscillator.     

Variational numerical renormalization group: bridging the gap between NRG and density matrix renormalization group

The numerical renormalization group (NRG) is rephrased as a variational method with the cost function given by the sum of all the energies of the effective low-energy Hamiltonian. This allows us to systematically improve the spectrum obtained by NRG through sweeping. The ensuing algorithm has a lot of similarities to the density matrix renormalization group (DMRG) when targeting many states, and this synergy of NRG and DMRG combines the best of both worlds and extends their applicability. We illustrate this approach with simulations of a quantum spin chain and a single impurity Anderson model where the accuracy of the effective eigenstates is greatly enhanced as compared to the NRG, especially in the transition to the continuum limit.     

Quench dynamics of edge states in 2-D topological insulator ribbons

We study the dynamics of edge states of the two dimensional BHZ Hamiltonian in a ribbon geometry following a sudden quench to the quantum critical point separating the topological insulator phase from the trivial insulator phase. The effective edge state Hamiltonian is a collection of decoupled qubit-like two-level systems which get coupled to bulk states following the quench. We notice a pronounced collapse and revival of the Lochschmidt echo for low-energy edge states illustrating the oscillation of the state between the two edges. We also observe a similar collapse and revival in the spin Hall current carried by these edge states, leading to a persistence of its time-averaged value.