多组态含时自旋非限制Hartree Fock理论 (cited: 1)

基于自旋非限制Hartree Fock理论,发展了自旋非限制多组态含时Hartree Fock理论方法来研究激光场中的多电子相关动力学．自旋向上和自旋向下的自旋轨道分别在他们各自的子空间内传播;并通过约化密度矩阵和平均场算符相互作用．分别利用了自旋限制和非限制的多组态含时Hartree Fock方法虚时和实时传播计算氦原子基态能量和电离几率．自旋非限制的计算结果与其他报道相合．     

A new formalism for the statistical dynamics of vector spin systems

The relaxational dynamics of a classical vector Heisenberg spin system is studied using the Fokker-Planck equation. To calculate the eigenvalues of the Fokker-Planck operator, a new approach is introduced. In this connection, a number space repesentation is introduced, which enables us to visualize the eigenvalue structure of the Fokker-Planck operator. The mean field approximation is derived and a systematic method to improve the mean field approximation is presented.     

A new formalism for the statistical dynamics of planar spin systems

The relaxational dynamics of a classical planar Heisenberg spin system is studied using the Fokker-Planck equation. A new approach is introduced in which we attempt to directly calculate the eigenvalues of the Fokker-Planck operator. In this connection a number space representation is introduced, which enables us to visualize the eigenvalue structure of the Fokker-Planck operator. The mean field approximation is derived and a systematic method to improve the mean field approximation is presented.     

强磁场中氢原子的能级结构

发展了一套简单高效的非微扰理论方法研究强磁场中的原子能级结构.作为例子,给出了磁场强度从0到1000个原子单位,氢原子基态和低激发态的结合能以及四极矩等重要原子能级结构参数.结果表明:相对于其他的高精度计算方法,该方法不仅能计算出高精度的能级位置而且可方便给出精确的电子波函数.此外,该法还具有很强的普适性,可直接推广到原子与任意方向的交叉电磁场相互作用的研究. 关键词： 强磁场 CWDVR谱方法 氢原子能级结构 四极矩     

高强度均匀静磁场中氢原子能级的计算

采用一种简便的变分法，计算了在均匀高强度静磁场下氢原子的１１个低能态能级和平均半径，讨论了高强度磁场对能级和半径的影响。     

Molecular multipoles and (hyper) polarizabilities from the Buckingham expansion:revisited

The Buckingham expansion is important for understanding molecular multipoles and (hyper) polarizabilities. In this study, we give a complete derivation of the Buckingham expansion in the traced form using successive Taylor series. Based on the derivation results, a general Buckingham expansion in the traced form is proposed, from which highly accurate numerical calculations using the finite field method can be achieved. The transformations from the traced multipoles and multipole-multipole polarizabilities to the corresponding traceless counterparts are realized with an auxiliary traced electric field gradient. The applications of thefinite field method in this study show good agreements with previous theoretical calculations and experimental measurements.     

Generalized nonlinear master equations for local fluctuations: Dimensionality expansions and augmented mean field theory

By application of a projection operator technique we derive a formally exact generalization of the nonlinear mean field master equation introduced recently for the study of local fluctuations in a reacting medium. Our starting point is a phenomenological cell master equation. The results of our theory are applicable to the theory of a fluctuating hydrodynamic reacting system. The mean field equation is placed on a firm theoretical foundation by showing it to be the lowest order approximation in an expansion in the dimensionality of the physical space keeping the product of the number of nearest neighbors (an increasing function of dimensionality) and the typical diffusion coefficient constant. A more accurate nonlinear master equation that allows for the correlation and fluctuations in the environment of a given volume element is derived in the form of an augmented mean field equation.Work supported in part by a grant from the National Science Foundation.     

Dynamical nonlocality of the entangled coherent state in the phase damping model

This paper studies the dynamics of nonlocality for a bosonic entangled coherent state in a phase damping model. The density operator of the system is solved by using a superoperator method. The dynamics of nonlocality for the bosonic entangled coherent state is uncovered by the Bell operator based on the pseudospin operator of a light field. The dynamics of the nonlocality for this state has also been studied by other Bell operators. The result of the numerical calculations of the Bell function shows that the quantum nonlocality heavily depends on the chosen Bell operator.     

Auxiliary Field Functional Integral Representation of the Many-Body Evolution Operator

Finding an appropriate functional integral representation of the many-body evolution operator is a crucial task for performing efficient calculations of fermionic systems within the auxiliary field approach. In this paper we derive a new field representation of the imaginary-time evolution operator using the method of Gaussian equivalent representation of Efimov and Ganbold (1991, Physica Status Solidi 168, 165). The goal is to obtain a functional integral representation, in which the main divergences caused by the tadpole Feynman diagrams are efficiently eliminated. These diagrams provide the main contributions to the ground state of the system under consideration, and therefore it is important to take them into account adequately, especially at lower temperatures. In addition, we show that the well-known mean field representation of the imaginary-time evolution operator is only the limiting case of the Gaussian equivalent representation in the small time-step regime.     

An Operator Method of the Theory of Optical Coherence and Radiometry

This paper presents a quantum mechanical formalism of the classical coherence theory, within which the generalized radiance function defined in the time domain is regarded as a phase space representative of a time-dependent correlation operator of a polychromatic field. The theory deals with both stationary and nonstationary fields and, for a stationary field, provides a new operator formalism of the usual theory of optical coherence developed in the space-frequency domain. New results include an operator representation of the mutual coherence function, an operator version of the Wiener-Khintchine theorem, and an operator theorem that projects the correlation operator of a polychromatic field onto a particular spectral component. As illustrative examples, the previous formulas regarding the relationship between temporal coherence and spatial coherence, and the relationship between spectral properties and coherence properties are derived from the new operator formulas. The correspondence of the present formalism to the usual formalism using Dirac notation to describe the propagation of a stationary, partially coherent, quasi-monochromatic field is also considered.     

Numerical methods for computing ground states and dynamics of nonlinear relativistic Hartree equation for boson stars

Efficient and accurate numerical methods are presented for computing ground states and dynamics of the three-dimensional (3D) nonlinear relativistic Hartree equation both without and with an external potential. This equation was derived recently for describing the mean field dynamics of boson stars. In its numerics, due to the appearance of pseudodifferential operator which is defined in phase space via symbol, spectral method is more suitable for the discretization in space than other numerical methods such as finite difference method, etc. For computing ground states, a backward Euler sine pseudospectral (BESP) method is proposed based on a gradient flow with discrete normalization; and respectively, for computing dynamics, a time-splitting sine pseudospectral (TSSP) method is presented based on a splitting technique to decouple the nonlinearity. Both BESP and TSSP are efficient in computation via discrete sine transform, and are of spectral accuracy in spatial discretization. TSSP is of second-order accuracy in temporal discretization and conserves the normalization in discretized level. In addition, when the external potential and initial data for dynamics are spherically symmetric, the original 3D problem collapses to a quasi-1D problem, for which both BESP and TSSP methods are extended successfully with a proper change of variables. Finally, extensive numerical results are reported to demonstrate the spectral accuracy of the methods and to show very interesting and complicated phenomena in the mean field dynamics of boson stars.     

Be-CO(X1∑+)体系的冷碰撞动力学

基于碱土金属原子Be和分子CO精确的相互作用势,采用对数-导数传播子方法和非耦合角动量表象,计算低和超低能碰撞条件下Be-CO体系在电场中的碰撞动力学,获得若干电场中碰撞体系低场追索态的弹性和非弹性碰撞截面,预测Be原子感应冷却CO分子的可行性.     

三种不同表象下多组态含时Hartree Fock理论实现方案

多组态含时Hartree Fock 理论方法作为一种研究强激光场中多电子原子分子体系动力学行为的一种有效手段, 近几年来备受关注. 本文介绍了该方法的发展历史, 重点介绍了本研究组近几年来对该理论方法的发展, 以及多组态含时Hartree Fock理论方法在原子基函数表象、 格点表象、 二次量子化表象不同的实现方案, 并就典型体系做了大量详细的计算. 同时也详细介绍了该方法在实际应用中存在的挑战, 展望了多组态含时Hartree Fock理论方法的发展应用前景. 关键词： 强激光场 多电子动力学 电子相关     

K模辅射场与二能级原子作用系统中场熵的演化

利用时间演化算符方法研究了K模相干光场与二能级原子相互作用系统中系统态矢的演化.利用数值计算方法研究了三模相干光场与二能级原子相互作用系统中场熵的演化,讨论了初始光场强度对场熵演化的影响.结果表明:当初始光场较强时,场熵随时间的演化呈现出规则的振荡,光场与原子之间的相互作用主要表现为双光子跃迁过程.     

高温气体电离度的近似计算方法

本文给出了计算电离度的一种近似方法,并由此得到了可以应用于流体力学计算的高温气体物态方程的解析表达式。表达式形式简单,数值结果的精确度相当高。     

The bases of effective field theories

With reference to the equivalence theorem, we discuss the selection of basis operators for effective field theories in general. The equivalence relation can be used to partition operators into equivalence classes, from which inequivalent basis operators are selected. These classes can also be identified as containing Potential-Tree-Generated (PTG) operators, Loop-Generated (LG) operators, or both, independently of the specific dynamics of the underlying extended models, so long as it is perturbatively decoupling. For an equivalence class containing both, we argue that the basis operator should be chosen from among the PTG operators, because they may have the largest coefficients. We apply this classification scheme to dimension-six operators in an illustrative Yukawa model as well in the Standard Model (SM). We show that the basis chosen by Grzadkowski et al. [5] for the SM satisfies this criterion. In this light, we also revisit and verify our earlier result [6] that the dimension-six corrections to the triple-gauge-boson couplings only arise from LG operators, so the magnitude of the coefficients should only be a few parts per thousand of the SM gauge coupling if BSM dynamics respects decoupling. The same is true of the quartic-gauge-boson couplings.     

非共振双光子Jaynes-Cummings模型中原子的偶极压缩

考虑到失谐量和初始原子相干性，研究了双光子Ｊａｙｎｅｓ－Ｃｕｍｍｉｎｇｓ模型中原子的压缩行为。研究表明，失谐量对场－原子相互作用中的原子压缩行为的影响很大。通过数值计算，还讨论了初始平均光子数与原子压缩的关系。     

非共振双光子Jaynes—Cummings模型中原子的偶极压缩

考虑到失谐量和初始原子相干性，研究了双光子Ｊａｙｎｅｓ－Ｃｕｍｍｉｎｇｓ模型中原子的压缩行为。研究表明，失谐量对场－原子相互作用中的原子压缩行为的影响很大，通过数值计算，还讨论了初始平均光子数与原子压缩的关系。     

外电场下BH分子势能函数

运用密度泛函B3P86方法和cc-PV5Z基组,获得了BH分子基态在不同外电场下的键长、偶极矩和振动频率等物理性质参数.通过分析物理性质参数,判断离解电场所处的范围,设置合适的参数扫描该范围的单点能获得势能曲线.结果表明物理性质参数和势能值随外电场的变化而变化,特别是在反向电场中.利用Morse势模型拟合无外场下势能函数,得到的拟合参数与实验值吻合较好,采用偶极近似构建外电场下的势能函数模型,编制程序拟合对应的势能函数,得出拟合参数,再计算临界离解电场参量,结果与数值计算值较为一致,说明构建的模型是可靠和准确的.为分析外场下分子光谱、动力学特性和分子Stark效应冷却囚禁提供理论参考.     

量子微腔中运动原子的辐射压力

利用全量子理论研究了量子微腔中运动原子的辐射压力. 从量子微腔与运动原子相互作用模型出发, 利用代数动力学方法对系统的哈密顿量进行规范变换, 推导出系统的时间演化算符和原子内态约化密度算符的表达式, 在此基础上给出辐射压力的解析解, 并讨论了驻波场和行波场中运动二能级原子和三能级原子的辐射压力, 数值结果与实验符合. 关键词： 量子微腔 运动原子 代数动力学 辐射压力