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21.
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
22.
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
23.
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
24.
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
25.
26.
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
27.
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
28.
本文采用激光衍射法和光学显微计算机图像系统及自行开发的软件,测量了三个典型煤在快速加热初期燃烧、等温加热燃烧和火焰燃烧方式的颗粒尺寸,运用分数维理论,建立了煤燃烧颗粒破碎理论,实验和理论研究揭示了煤燃烧中颗粒尺寸变化的本质,理论计算和实验结果符合良好。 相似文献
29.
The dendrite growth process of transparent NaBi(WO4)2 with small prandtl and high melting point was studied by using the in-situ observation system. According to the dynamic images and detailed information, there are two kinds of restriction effect on
the dendrite growth, the competition between arms and branches and the convection in the melt. The dendrite growth rate was
time dependent, and the rate of arm growth reached the maximum 5.8 mm/s in the diffusive-advective region and rapidly decreased
in the diffusive-convective region. The growth rate of branch had the same change trends as the arm’s. Based on the EPMA-EDS
data of solidification structure of quenched NaBi(WO4)2 melt, it was found that there were component differences from stoichiometric concentration in the melt near the interface
during the growth process.
Supported by the National Natural Science Foundation of China (Grant No. 50331040) and the Innovation Funds from Shanghai
Institute of Ceramics, Chinese Academy of Sciences (Grant No. SCX0623) 相似文献
30.
For exponential weights, a necessary condition of weighted mean convergence for Lagrange interpolation is given. 相似文献