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Nonstationarity and related measures for time‐dependent hartree–fock and multiconfigurational models
Anatoliy V. Luzanov 《International journal of quantum chemistry》2013,113(23):2489-2505
Based on an earlier article (Eberly and Singh, Phys. Rev. D 1973 , 7, 359) and related works on short‐time evolution, this article proposes a many‐electron formulation for the nonstationarity degree which can be assigned to quantum system at each time point. The key measure introduced, , is a nonstationarity index that can be thought of as an inverse nominal lifetime at each instance of time. The index is directly computed from the time derivative of one‐electron density matrix and is a size‐consistent quantity. In this article, the approach is developed for the time‐dependent Hartree–Fock (TDHF), single‐excitation (TDCIS), and time‐dependent full configuration interaction (TDFCI) models. As a rule, nonstationarity effects are more pronounced in correlated electron systems, and a joint analysis of and the multiconfigurational character of wave functions apparently provide a deeper insight into dynamical molecular processes. The performed calculations on small molecules in laser fields show a preference for the TDCIS model when comparing TDCIS and TDHF with the “exact” TDFCI model. © 2013 Wiley Periodicals, Inc. 相似文献
23.
Knud Thomsen 《Entropy (Basel, Switzerland)》2021,23(6)
Time is one of the undisputed foundations of our life in the real world. Here it is argued that inside small isolated quantum systems, time does not pass as we are used to, and it is primarily in this sense that quantum objects enjoy only limited reality. Quantum systems, which we know, are embedded in the everyday classical world. Their preparation as well as their measurement-phases leave durable records and traces in the entropy of the environment. The Landauer Principle then gives a quantitative threshold for irreversibility. With double slit experiments and tunneling as paradigmatic examples, it is proposed that a label of timelessness offers clues for rendering a Copenhagen-type interpretation of quantum physics more “realistic” and acceptable by providing a coarse but viable link from the fundamental quantum realm to the classical world which humans directly experience. 相似文献
24.
Jordan operator algebras are norm‐closed spaces of operators on a Hilbert space with for all . In two recent papers by the authors and Neal, a theory for these spaces was developed. It was shown there that much of the theory of associative operator algebras, in particular, surprisingly much of the associative theory from several recent papers of the first author and coauthors, generalizes to Jordan operator algebras. In the present paper we complete this task, giving several results which generalize the associative case in these papers, relating to unitizations, real positivity, hereditary subalgebras, and a couple of other topics. We also solve one of the three open problems stated at the end of our earlier joint paper on Jordan operator algebras. 相似文献
25.
zcan Bekta 《Mathematical Methods in the Applied Sciences》2019,42(16):5215-5232
The split and hyperbolic (countercomplex) octonions are eight‐dimensional nonassociative algebras over the real numbers, which are in the form , where em's have different properties for them. The main purpose of this paper is to define the split‐type octonion and its matrix whose inputs are split‐type octonions and give some properties for them by using the real quaternions, split, and hyperbolic (countercomplex) octonions. On the other hand, to make some definitions, we present some operations on the split‐type octonions. Also, we show that every split‐type octonions can be represented by 2 × 2 real quaternion matrix and 4 × 4 complex number matrix. The information about the determinants of these matrix representations is also given. Besides, the main features of split‐type octonion matrix concept are given by using properties of real quaternion matrices. Then, 8n × 8nreal matrix representations of split‐type octonion matrices are shown, and some algebraic structures are examined. Additionally, we introduce real quaternion adjoint matrices of split‐type octonion matrices. Moreover, necessary and sufficient conditions and definitions are given for split‐type octonion matrices to be special split‐type octonion matrices. We describe some special split‐type octonion matrices. Finally, oct‐determinant of split‐type octonion matrices is defined. Definitive and understandable examples of all definitions, theorems, and conclusions were given for a better understanding of all these concepts. 相似文献
26.
基于企业异质性视角,借鉴演化博弈理论探究企业通过OFDI“走出去”时的跨国并购方和标的方在全要素生产率上的差异对企业OFDI进入策略选择的影响机制。利用Hotelling模型构造资本密集型企业与劳动密集型企业OFDI进入策略选择博弈模型,讨论两类企业OFDI进入方式决策在并购双方生产率差异变化之下的变迁机理。研究发现:当并购方和被并购方生产率差异较小时,市场达到两类企业都倾向于跨国并购策略的演化稳定状态;当并购双方生产率差异较大时,企业的生产要素密集度及其结构对其OFDI进入模式决策具有重要的作用,知识或技术密集度较高的资本密集型企业与综合实力强势的部分劳动密集型企业采取跨国并购战略,而另一部分劳动密集型企业选择绿地新建方式进入国际市场。即企业OFDI进入策略选择因其所属的行业生产要素密集度及其结构不同而具有差异性。研究结论在一定程度上弥补了现有研究的不足,为以后的研究工作提供一定的理论参考。 相似文献
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28.
《Journal of separation science》2017,40(24):4857-4864
A novel method based on direct analysis in real time integrated with mass spectrometry was established and applied into rapid determination of ginkgolic acids in Ginkgo biloba kernels and leaves. Instrument parameter settings were optimized to obtain the sensitive and accurate determination of ginkgolic acids. At the sample introduction speed of 0.2 mm/s, high intensity of [M–H]– ions for ginkgolic acids were observed in the negative ion mode by utilization of high‐purity helium gas at 450°C. Two microliters of methanol extract of G. biloba kernels or leaves dropped on the surface of Quick‐Strip module was analyzed after solvent evaporated to dryness. A series of standard solutions of ginkgolic acid 13:0 in the range of 2–50 mg/L were analyzed with a correlation coefficient r = 0.9981 and relative standard deviation (n = 5) from 12.5 to 13.7%. The limit of detection was 0.5 mg/L. The results of direct analysis in real time‐mass spectrometry were in agreement with those observed by thermochemolysis gas chromatography. The proposed method demonstrated significant potential in the application of the high‐throughput screening and rapid analysis for ginkgolic acids in dietary supplements. 相似文献
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30.
In this paper, we consider the consumption and investment problem with random horizon in a Batch Markov Arrival Process (BMAP) model. The investor invests her wealth in a financial market consisting of a risk-free asset and a risky asset. The price processes of the riskless asset and the risky asset are modulated by a continuous-time Markov chain, which is the phase process of a BMAP. The possible consumption or investment are restricted to a sequence of random discrete time points which are determined by the same BMAP. The investor has only consumption opportunities at some of these random time points, has both consumption and investment opportunities at some other random time points, and can do nothing at the remaining random time points. The object of the investor is to select the consumption–investment strategy that maximizes the expected total discounted utility. The purpose of this paper is to analyze the impact of the consumption–investment opportunity and the economic state on the value functions and consumption–investment strategies. The general solution and the exact solution under the assumption that the consumption and the terminal wealth are evaluated by the power utility are obtained. Finally, a numerical example is presented. 相似文献