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31.
High-level ab initio calculations are carried out to study the relative stability of the two hydrogen bonded structures of water-hydrogen sulfide complex, one with water as the proton donor (A) and the other with hydrogen sulfide as the proton donor (B). The results show that structure A is considerably more stable than B at the correlated level, which is in contrast with previous results obtained from Hartree-Fock calculations. 相似文献
32.
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
33.
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
34.
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
35.
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
36.
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
37.
Methods to synthesize magnetic Fe3O4 nanoparticles and to modify the surface of particles are presented in the present investigation. Fe3O4 magnetic nanoparticles were prepared by the co-precipitation of Fe3+ and Fe2+, NH3·H2O was used as the precipitating agent to adjust the pH value, and the aging of Fe3O4 magnetic nanoparticles was accelerated by microwave (MW) irradiation. The obtained Fe3O4 magnetic nanoparticles were characterized by Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), X-ray powder diffraction (XRD) and vibrating sample magnetometer (VSM). The average size of Fe3O4 crystallites was found to be around 8–9 nm. Thereafter, the surface of Fe3O4 magnetic nanoparticles was modified by stearic acid. The resultant sample was characterized by FT-IR, scanning electron microscopy (SEM), XRD, lipophilic degree (LD) and sedimentation test. The FT-IR results indicated that a covalent bond was formed by chemical reaction between the hydroxyl groups on the surface of Fe3O4 nanoparticles and carboxyl groups of stearic acid, which changed the polarity of Fe3O4 nanoparticles. The dispersion of Fe3O4 in organic solvent was greatly improved. Effects of reaction time, reaction temperature and concentration of stearic acid on particle surface modification were investigated. In addition, Fe3O4/polystyrene (PS) nanocomposite was synthesized by adding surface modified Fe3O4 magnetic nanoparticles into styrene monomer, followed by the radical polymerization. The obtained nanocomposite was tested by thermogravimetry (TG), differential scanning calorimetry (DSC) and XRD. Results revealed that the thermal stability of PS was not significantly changed after adding Fe3O4 nanoparticles. The Fe3O4 magnetic fluid was characterized using UV–vis spectrophotometer, Gouy magnetic balance and laser particle-size analyzer. The testing results showed that the magnetic fluid had excellent stability, and had susceptibility of 4.46×10−8 and saturated magnetization of 6.56 emu/g. In addition, the mean size d (0.99) of magnetic Fe3O4 nanoparticles in the fluid was 36.19 nm. 相似文献
38.
39.
By optimizing pump power ratio between 1st order backward pump and 2nd order forward pump on discrete Raman amplifier, we demonstrated over 2dB noise figure improvement without excessive non-linearity degradation. 相似文献
40.
Simple Entanglement Measure for Multipartite Pure States 总被引:3,自引:0,他引:3
Feng Pan Feng Pan Feng Pan Dan Liu Guoying Lu J. P. Draayer 《International Journal of Theoretical Physics》2004,43(5):1241-1247
A simple entanglement measure for multipartite pure states is formulated based on the partial entropy of a series of reduced density matrices. Use of the proposed new measure to distinguish disentangled, partially entangled, and maximally entangled multipartite pure states is illustrated. 相似文献