Space time-index plots for probing dynamical nonstationarity

We propose a simple method to efficiently probe dynamical nonstationarity in observed time series. In a space time-index plot, the density distributions as a function of normalized time-index are V-shaped due to nonstationarity. We show that this method is workable for short data sets and typical examples are illustrated.     

处理原子-辐射场相互作用系统的变分方法

用Heisenberg-Weyl(简H-W)群直积SU(2)群上的相干态表述了原子-辐射场相互作用系统的非平衡态统计力学.引入一个新定义的含时分布函数,将非平衡态下密度矩阵所满足的von Neumann方程转化成可分离变量的偏微分方程,给出了方程的形式解,算符的平均值表示.本文还就便于作微扰展开的相互作用绘景作了讨论.     

Mass Spectral Fragmentation of (S,S)-N,N′-Bis [1-(hydroxymethyl)alkyl]anthracene/Naphthalene-1,8-dicarboxamides under Electron Impact Ionization Conditions

IntroductionN,N′-Bis [1-( hydroxymethyl) alkyl] dicarboxa-mides are important intermediates for the syntheses ofbis-oxazolines, which are a class of the most importantand widely used ligands in catalytic asymmetric reac-tions[1,2]. On determining the str…     

Normalization and Fermi–Coulomb and Coulomb hole sum rules for approximate wave functions

For approximate wave functions, we prove the theorem that there is a one‐to‐one correspondence between the constraints of normalization and of the Fermi–Coulomb and Coulomb hole charge sum rules at each electron position. This correspondence is surprising in light of the fact that normalization depends on the probability of finding an electron at some position. In contrast, the Fermi–Coulomb hole sum rule depends on the probability of two electrons staying apart because of correlations due to the Pauli exclusion principle and Coulomb repulsion, while the Coulomb hole sum rule depends on Coulomb repulsion. We demonstrate the theorem for the ground state of the He atom by the use of two different approximate wave functions that are functionals rather than functions. The first of these wave function functionals is constructed to satisfy the constraint of normalization, and the second that of the Coulomb hole sum rule for each electron position. Each is then shown to satisfy the other corresponding sum rule. The significance of the theorem for the construction of approximate “exchange‐correlation” and “correlation” energy functionals of density functional theory is also discussed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

广义分解定理与两个不等式

本文给出了Banach空间广义分解定理的一个初等证明,并利用它来证明两个对称不等式.这是首次在Banach空间获得这样的不等式.