Trace states and KMS states for approximately inner dynamical one-parameter groups of *-automorphisms

The usual definition of approximately inner one-parameter groups of *-automorphisms ofC*-algebras (approximately inner dynamical one-parameter groups) contains a slight asymmetry. When this asymmetry is corrected, we show that if an approximately inner dynamical one-parameter group hasKMS states forone value of inverse temperature =1/kT, then it hasKMS states for all values of . By the Powers-Sakai Theorem it is enough to show that there is a trace state. We obtain a trace state as a limit of a sequence of vector states with respect to a givenKMS state and thus solve a problem raised in [6].Supported by Odense University, Denmark     

Passive states and KMS states for general quantum systems

We characterize equilibrium states of quantum systems by a condition of passivity suggested by the second principle of thermodynamics. Ground states and -KMS states for all inverse temperatures 0 are completely passive. We prove that these states are the only completely passive ones. For the special case of states describing pure phases, assuming the passivity we reproduce the results of Haag et al.     

KMS states for the Weyl algebra

We consider the possible automorphism groups for the Weyl algebra overR, resp.T, and classify those for which KMS states, unique or not unique, exist.     

Local transformations and KMS states

A unified approach to the DLR and KMS conditions is presented emphasizing local properties.     

On the existence of KMS states

A necessary and sufficient condition for the existence of KMS states is formulated in terms of a certain left ideal in the algebraA ⁰ A.     

A spectral characterization of KMS states

Let be a state on aC*-dynamical system . For each of the following properties of : (1) is -K MS with respect to for some given , 0<+, (2) is either a KMS state or a ground state, necessary and sufficient conditions are given involving only the spectral subspaces of associated with . The results provide a new insight in the concept of passivity, introduced by W. Pusz and S. L. Woronowicz.Aangesteld navorser N.F.W.O., Belgium, on leave from Katholieke Universiteit Leuven. Research partially supported by N.A.T.O.     

Resistance inequalities for KMS states of the isotropic Heisenberg model

Inequalities which show that the spin correlations between spins at two lattice sites is bounded by a constant times the inverse square root of the electrical resistance between the lattice sites is proved for KMS states of the isotropic Heisenberg model. The resistance is calculated using the inverse of the coefficients occuring in the Heisenberg Hamiltionian as the resistances between neighboring lattice sites.Work supported in part by a National Science Foundation GrantOn leave from the University of Pennsylvania, Philadelphia, Pa. 19174, USA     

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.     

On the equivalence of KMS and Gibbs conditions for states of quantum lattice systems

The equivalence of a Gibbsian equilibrium condition and the KMS condition is proven for one-dimensional quantum lattice systems with a finite range interaction at arbitrary temperature, and for quantum lattice systems of arbitrary dimension, with a finite body interaction, at high temperature.     

On uniqueness of KMS states of one-dimensional quantum lattice systems

We present a proof of the theorem on the uniqueness of KMS states of one-dimensional quantum lattice systems, which is based on some equicontinuity.     

Crystalline ground states for classical particles

Pair interactions whose Fourier transform is non-negative and vanishes above a wave number K(0) are shown to give rise to periodic and aperiodic infinite volume ground state configurations (GSCs) in any dimension d. A typical three-dimensional example is an interaction of asymptotic form cosK(0)r/r(4). The result is obtained for densities rho > or = rho(d), where rho(1) = K(0)/2(pi), rho(2) = (sq.rt(3)/8)(K(0)/pi)(2), and rho(3) = (1/8sq.rt(2)) x (K(0)/pi)(3). At rho(d) there is a unique periodic GSC which is the uniform chain, the triangular lattice, and the bcc lattice for d = 1,2,3, respectively. For rho > rho(d), the GSC is nonunique and the degeneracy is continuous: Any periodic configuration of density rho with all reciprocal lattice vectors not smaller than K(0), and any union of such configurations, is a GSC. The fcc lattice is a GSC only for rho > or = (1/6 sq.rt(3)) x (K(0)/pi)(3).     

KMS condition in a Schrödinger picture of the dynamics

Given the C¹-algebra $\text{A}$ of observables, the KMS condition is formulated in terms of the time evolution α¹_t of a set $\text{S}$₀ ? $\text{S}$($\text{A}$) of “physical” states subject to certain natural conditions. α¹_t need not be defined by an automorphism group of $\text{A}$. It is shown that, for a KMS state ω, α¹_t induces a 1-automorphism α^ω_t of the von Neumann algebra π_ω($\text{A}$)″ generated by the representation π_ω belonging to ω.     

Best possible strategy for finding ground states

Finding the ground state of a system with a complex energy landscape is important for many physical problems including protein folding, spin glasses, chemical clusters, and neural networks. Such problems are usually solved by heuristic search methods whose efficacy is judged by empirical performance on selected examples. We present a proof that, within the large class of algorithms that simulate a random walk on the landscape, threshold accepting is the best possible strategy. In particular, it can perform better than simulated annealing and Tsallis statistics. Our proof is the first example of a provably optimal strategy in this area.     

New duality relations for classical ground states

We derive new duality relations that link the energy of configurations associated with a class of soft pair potentials to the corresponding energy of the dual (Fourier-transformed) potential. We apply them by showing how information about the classical ground states of short-ranged potentials can be used to draw new conclusions about the nature of the ground states of long-ranged potentials and vice versa. They also lead to bounds on the T=0 system energies in density intervals of phase coexistence, the identification of a one-dimensional system that exhibits an infinite number of "phase transitions," and a conjecture regarding the ground states of purely repulsive monotonic potentials.     

Existence and construction of simultaneous cloning machines for mixed states

It is a well-known fact that the no-cloning theorem forbids the creation of identical copies of an arbitrary unknown quantum state.In other words,there does not exist a quantum cloning machine that can clone all quantum states.However,it is possible to clone given quantum states under certain conditions,for instance,k distinct pure states|ψ1,|ψ2,...,|ψk can be cloned simultaneously if and only if they are orthogonal.This paper discusses the existence and construction of simultaneous cloning machines for mixed states.It is proved that k distinct mixed statesρ1,ρ2,...,ρkof the n-dimensional quantum system Cncan be cloned simultaneously,that is,there exists a quantum channel Φ on MnMn and a state Σ in Mn,such that Φ(ρiΣ)=ρiρi for all i,if and only ifρiρj=0(i j).Also,the constructing procedure of the desired simultaneous cloning machine is given.     

HF分子电子基态和激发态的MRCI计算

应用舍Davidson修正的多参考组态相互作用（MRCI）方法,在aug-cc-pVTZ基组水平上对HF基态及最低的多个单重和三重电子激发态进行了势能扫描计算.结合群论原理及分子的离解极限,分析了电子态势能曲线的特征,得出激发态B¹S⁺对应的离解极限为H⁺+F^-（¹S）.基于势能曲线,数值求解核运动的径向Schrodinge方程,得到J=0时束缚电子态X¹S⁺,B¹S⁺,C¹P和D¹S⁺的振动能级和转动常数,继而进行数据拟合得到电子态的光谱常数,基态X¹S⁺:ω_e=4146.94 cm^-1,ω_ez_e=88.08 cm^-1,B_e=21.22 cm^-1,a=0.785 cm^-1;B¹S⁺态:ω_e=1131.37 cm^-1,ω_ex_e=17.28 cm^-1,B_e=3.96 cm^-1,a_e=0.0215 cm^-1,C¹P态:ω_e=2696.37 cm^-1,ω_ex_e=73.43 cm^-1,B_e=15.91 cm^-1,a_e=0.776 cm^-1,D¹S⁺态:ω_e=3104.22 cm^-1,ω_ex_e=118.92 cm^-1,B_e=17.25 cm^-1,a_e=0.992 cm^-1,拟合结果与实验值吻合的较好.     

HF分子电子基态和激发态的MRCI计算

应用含Davidson修正的多参考组态相互作用(MRCI)方法, 在aug-cc-pVTZ基组水平上对HF基态及最低的多个单重和三重电子激发态进行了势能扫描计算. 结合群论原理及分子的离解极限, 分析了电子态势能曲线的特征, 得出激发态B1对应的离解极限为H++F-(1S). 基于势能曲线, 数值求解核运动的径向Schrödinger方程, 得到J=0时束缚电子态X1, B1C1和D1的振动能级和转动常数, 继而进行数据拟合得到电子态的光谱常数, 基态X1e=4146.94 cm-1, exe =88.08 cm-1, e=21.22 cm-1, e=0.785 cm-1; B1态：e=1131.37 cm-1,exe =17.28 cm-1, e=3.96 cm-1, e=0.0215 cm-1, C1态e=2696.37 cm-1, exe =73.43 cm-1, e=15.91 cm-1, e=0.776 cm-1, D1态e=3104.22 cm-1, exe =118.92 cm-1, e=17.25cm-1, e=0.992cm-1, 拟合结果与实验值吻合的较好.     

Existence of excited states for a nonlinear Dirac field

We prove the existence of infinitely many stationary states for the following nonlinear Dirac equation $$i\gamma ^\mu \partial _\mu \psi - m\psi + (\bar \psi \psi )\psi = 0.$$ Seeking for eigenfunctions splitted in spherical coordinates leads us to analyze a nonautonomous dynamical system inR ². The number of eigenfunctions is given by the number of intersections of the stable manifold of the origin with the curve of admissible datum. This proves the existence of infinitely many stationary states, ordered by the number of nodes of each component.     

Some connections between ground states and temperature states of thermodynamical systems

We investigate the properties of ground states of thermodynamical systems as limits of temperature states; we enlarge the algebra of observables in order to define a *-automorphism relevant to the study of K.M.S.-states and derive an usefull theorem of transitivity of *-automorphisms within the locally normal pure states of a quasilocal algebra.Chargé de Recherches au C.N.R.S.Maître-Assistant — Université d'Aix-Marseille II — Centre de Luminy.