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51.
52.
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
53.
We present a semimonolithic frequency-doubler from 1080 to 540 nm with 80% doubling efficiency and up to 849-mW output power of green light. 相似文献
54.
CHEN Zhi-hong XU Li BA Xue-qing ZENG Xian-lu 《高等学校化学研究》2006,22(3):302-307
Introduction Migrationandrecruitmentofleukocytesfromblood toinflammatorylesionsitesaresequentiallyregulated byadhesionmoleculesandtheirreceptors[1].These lectinfamilyplaysamajorroleininitiatingattachement ofneutrophilstotheactivatedendothelium.P selectin,… 相似文献
55.
For vertical-cavity surface-emitting lasers (VCSELs) with polarization-rotated feedback, there exist several synchronization
types such as synchronizations between total powers and synchronizations between separate polarization modes. Based on the
two-mode rate equations, we study and compare numerically the performances of different synchronization types. Our results
show that three synchronization types exhibit good performances when their synchronization conditions are satisfied. They
are the complete synchronization between total powers, complete synchronization between x-polarized modes, and generalized synchronization between x-polarized and y-polarized modes. The former two types are sensitive to the injection rate and spontaneous emission, while the third type
is contrary. Synchronization type with the best performance may switch from one to another, with changing of injection rate
and spontaneous emission factor. 相似文献
56.
高压电场作用下乙醇-水溶液体系变化红外光谱分析 总被引:1,自引:0,他引:1
本文报道了用红外光谱分析电磁场作用下乙醇 水溶液体系变化情况。分析结果表明 :当乙醇溶液受到 2 0kV·cm- 1 的交变电磁场处理 (5 0Hz)时 ,分子之间的氢键缔合先增大后减少 ;高乙醇含量溶液受到同样强度电场较长时间处理时 ,有乙醇发生氧化反应 ,从红外谱中可看到νCO 峰及ν(OH) (H2 O) 峰的出现 ;经处理后的溶液自然放置 7天再测定 ,其红外谱图基本保持不变。文中对各出现变化的峰进行了分析 ,并对其机理进行了推导 相似文献
57.
Wei-Yan Shao Ying-Nan Cao Wen-Jie Pan Xian-Zhang Bu Lin-Kun An Lian-Quan Gu Albert S.C. Chan 《Tetrahedron letters》2006,47(24):4085-4089
Seventeen unsymmetrical curcumin derivatives were synthesized in good yield and purity by a facile solid phase synthesis strategy. 相似文献
58.
Investigation of remelting and cladding processing with laminar plasma jets on several metals has been conducted looking for possible development of a new surface modification technique. The remelting tests illustrated that the new method could evidently improve the material microstructure and properties of cast iron. The cladding was done with Al2O3 ceramic powder on stainless steel. The energy dispersive spectra (EDS) analysis was used to determine the distribution of the major cladding element in the plasma-processed layers, for which the microstructure observations and hardness measurements were also performed. 相似文献
59.
We present integral-type Darboux transformation for the mKdV hierarchy and for the mKdV hierarchy withself-consistent sources. In contrast with the normal Darboux transformation, the integral-type Darboux transformationscan offer non-auto-Backlund transformation between two (2n 1)-th mKdV equations with self-consistent sources withdifferent degrees. This kind of Darboux transformation enables us to construct the N-soliton solution for the mKdVhierarchy with self-consistent sources. We also propose the formulas for the m times repeated integral-type Darbouxtransformations for both mKdV hierarchy and mKdV hierarchy with self-consistent sources. 相似文献
60.