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141.
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 相似文献
142.
J. Xu J. Mei X.H. Huang X. Li Z. Li W. Li K. Chen 《Applied Physics A: Materials Science & Processing》2005,80(1):123-126
The effect of nitrogen surface doping on the electron field emission characteristics of hydrogenated amorphous carbon films was studied. It was found that the emission threshold electric field decreased after nitrogen surface doping which indicated the reduction of the emission barrier at the film surface. It was demonstrated that this improvement arose from the decrease of the effective work function due to the formation of a dipole layer induced by chemical termination and chemical structural change on the film surface. PACS 52.75.Xx; 73.30 +y; 73.61.Jc 相似文献
143.
144.
Q.-Y. Shao A.-D. Li J.-B. Cheng H.-Q. Ling D. Wu Z.-G. Liu N.-B. Ming C. Wang H.-W. Zhou B.-Y. Nguyen 《Applied Physics A: Materials Science & Processing》2005,81(6):1181-1185
LaAlO3 (LAO) gate dielectric films were deposited on Si substrates by low-pressure metalorganic chemical vapor deposition. The interfacial structure and composition distribution were investigated by high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), secondary-ion mass spectroscopy (SIMS), and Auger-electron spectroscopy (AES). HRTEM confirms that there exists an interfacial layer between LAO and Si in most samples. AES, SIMS, and XPS analyses indicate that the interfacial layer is compositionally graded La–Al silicate and the Al element is severely deficient close to the Si surface. Electrical properties of LAO films were evaluated. No evident difference in electrical properties between samples with and without native SiO2 layers was observed. The electrical properties are discussed in terms of LAO growth mechanisms, in relation to the interfacial structure. PACS 73.40.Qv; 81.15.Gh; 77.55.+f; 68.35.-p 相似文献
145.
We compare the efficiency of two Faddeev-type approaches for the nuclear three-body Coulomb problem. The first one is a modification
of Noble’s approach, the second one is due to Sasakawa and Sawada. In an integral-equation formulation both of these methods
rely on the same Green’s operators and driving terms. The differences lie in the treatment of the long-range Coulomb potentials.
Numerical examples show that the modified Faddeev-Noble approach provides for faster convergence. 相似文献
146.
J. MALINEN O. NEVANLINNA V. TURUNEN Z. YUAN 《数学学报(英文版)》2007,23(4):745-748
Let T be a bounded linear operator in a Banach space, with σ(T)={1}. In 1983, Esterle-Berkani' s conjecture was proposed for the decay of differences (I - T) T^n as follows: Eitheror lim inf (n→∞(n+1)||(I-T)T^n||≥1/e or T = I. We prove this claim and discuss some of its consequences. 相似文献
147.
Differentiation of functions w.r.t. finite atomless measures with compact support on the real line is introduced. The related harmonic calculus is similar to that of the classical Lebesgue case. As an application we obtain the Weyl exponent for the spectral asymptotics of the Laplacians w.r.t. linear Cantor-type measures with arbitrary weights. 相似文献
148.
应用七级目测法对浙江中部地区27个夏熟作物田样点的杂草进行了优势等级调查,将所得数据转换成重要值,以杂草在27个样点中的重要值为运算指标,应用主成分分析法和图论聚类中的最小生成树法,对24种杂草的生态学相似性进行了比较,指出了长期使用单一的除草剂导致农田杂草种群迅速更迭的原因:杂草对除草剂的敏感性差异及不同杂草间的生态学特性的差异。 相似文献
149.
Dr. Z. Livne 《International Journal of Game Theory》1987,16(3):223-242
The Bargaining Problem paradigm is extended to time-consuming conflict situations. Such a situation can be represented by a chain of bargaining domains, each representing the conflict at a different point in time. The solution function selects a point in the union of all these domains. We characterize a solution function which satisfies several requirements and explore its properties. One of the results is that an extension of the Adding requirement (Thomson-Myerson 1980) is enough, under some conditions, to yield a solution point, so there is no need to extend the stronger requirements of Independence of Irrelevant Alternatives (Nash 1950) or Monotonicity (Kalai-Smorodinsky 1975). 相似文献
150.