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61.
Generalized Fourth-Order Decompositions of Imaginary Time Path Integral: Implications of the Harmonic Oscillator
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The imaginary time path integral formalism offers a powerful numerical tool for simulating thermodynamic properties of realistic systems. We show that, when second-order and fourth-order decompositions are employed, they share a remarkable unified analytic form for the partition function of the harmonic oscillator. We are then able to obtain the expression of the thermodynamic property and the leading error terms as well. In order to obtain reasonably optimal values of the free parameters in the generalized symmetric fourth-order decomposition scheme, we eliminate the leading error terms to achieve the accuracy of desired order for the thermodynamic property of the harmonic system. Such a strategy leads to an efficient fourth-order decomposition that produces third-order accurate thermodynamic properties for general systems. 相似文献
62.
提出了一种基于谱线幅值归零的加窗插值FFT谐波检测方法用于分析复杂电网信号中的各次谐波.该检测方法将每一次在离散频谱中找到的最大谱线及其左右两侧的数根谱线幅值归零,直到各次谐波分析完毕.通过仿真实验分析了在基波频率稳定时对模拟信号的测量精度,研究了基波频率波动对谐波分析的影响.通过对EAST实验数据的分析,验证了该谐波... 相似文献
63.
Tomislav P. ivkovi 《Journal of mathematical chemistry》2009,45(4):1060-1101
Mathematical formalism of the Low Rank Perturbation method (LRP) is applied to the vibrational isotope effect in the harmonic
approximation with a standard assumption that force field does not change under isotopic substitutions. A pair of two n-atom isotopic molecules A and B which are identical except for isotopic substitutions at ρ atomic sites is considered. In the LRP approach vibrational frequencies ω
k
and normal modes of the isotopomer B are expressed in terms of the vibrational frequencies ν
i
and normal modes of the parent molecule A. In those relations complete specification of the normal modes is not required. Only amplitudes at sites τ affected by the isotopic substitutions and in the coordinate direction s (s = x, y, z) are needed. Out-of-plane vibrations of the (H,D)-benzene isotopomers are considered. Standard error of the LRP frequencies
with respect to the DFT frequencies is on average . This error is due to the uncertainty of the input data (± 0.5 cm−1) and in the absence of those uncertainties and in the harmonic approximation it should disappear. In comparing with experiment,
one finds that LRP frequencies reproduces experimental frequencies of (H,D)-benzene isotopomers better () than scaled DFT frequencies () which are designed to minimize (by frequency scaling technique) this error. In addition, LRP is conceptually and numerically
simple and it also provides a new insight in the vibrational isotope effect in the harmonic approximation. 相似文献
64.
Let C be a closed convex weakly Cauchy subset of a normed space X. Then we define a new {a,b,c} type nonexpansive and {a,b,c} type contraction mapping T from C into C. These types of mappings will be denoted respectively by {a,b,c}-ntype and {a,b,c}-ctype. We proved the following: 1. If T is {a,b,c}-ntype mapping, then inf{ || T(x)-x|| :x C C} =0, accordingly T has a unique fixed point. Moreover, any sequence {Xn}n∈NN in C with limn→∞||T(xn) - Xn|| = 0 has a subsequence strongly convergent to the unique fixed point of T. 2. If T is {a,b,c}-ctype mapping, then T has a unique fixed point. Moreover, for any x∈C the sequence of iterates {Tn (x)}n∈N has subsequence strongly convergent to the unique fixed point of T. This paper extends and generalizes some of the results given in [2,4, 7] and [13]. 相似文献
65.
Let (X, d, μ) be a metric measure space with non-negative Ricci curvature. This paper is concerned with the boundary behavior of harmonic function on the (open) upper half-space . We derive that a function f of bounded mean oscillation (BMO) is the trace of harmonic function on , whenever u satisfies the following Carleson measure condition where denotes the total gradient and denotes the (open) ball centered at with radius . Conversely, the above condition characterizes all the harmonic functions whose traces are in BMO space. 相似文献
66.
广义度量空间理论是一般拓扑学研究的重要课题。本文综述了90年代广义度量空间理论的成就,分析了它的主要研究课题,所取得的重要结果是国内学者在该方向的贡献。 相似文献
67.
68.
本文研究了L-fuzzy代数的L-fuzzy代数同态的定义及其性质.利用L-fuzzy集的水平截集,得到TL-fuzzy代数的L-fuzzy代数同态的若干等价刻画. 相似文献
69.
It is considered the class of Riemann surfaces with dimT1 = 0, where T1 is a subclass of exact harmonic forms which is one of the factors in the orthogonal decomposition of the spaceΩH of harmonic forms of the surface, namely The surfaces in the class OHD and the class of planar surfaces satisfy dimT1 = 0. A.Pfluger posed the question whether there might exist other surfaces outside those two classes. Here it is shown that in the case of finite genus g, we should look for a surface S with dimT1 = 0 among the surfaces of the form Sg\K , where Sg is a closed surface of genus g and K a compact set of positive harmonic measure with perfect components and very irregular boundary. 相似文献
70.
Zhao Qiaoling Yan Guojun 《高校应用数学学报(英文版)》2007,22(3):343-352
In this paper,the stochastic flow of mappings generated by a Feller convolution semigroup on a compact metric space is studied.This kind of flow is the generalization of superprocesses of stochastic flows and stochastic diffeomorphism induced by the strong solutions of stochastic differential equations. 相似文献