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31.
Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively. 相似文献
32.
提出了一种比较系统的求解非线性发展方程精确解的新方法, 即试探方程法. 以一个带5阶 导数项的非线性发展方程为例, 利用试探方程法化成初等积分形式,再利用三阶多项式的完 全判别系统求解,由此求得的精确解包括有理函数型解, 孤波解, 三角函数型周期解, 多项 式型Jacobi椭圆函数周期解和分式型Jacobi椭圆函数周期解
关键词:
试探方程法
非线性发展方程
孤波解
Jacobi椭圆函数
周期解 相似文献
33.
基于CSCW的协同编著系统的设计 总被引:3,自引:0,他引:3
讨论了计算机支持的协同工作(CSCW)的主要技术,其中重点讨论了协同编著系统设计中的并发控制技术,指出了其与传统的并发控制技术的区别。根据CSCW的基本原理设计出了一个基于Browse/Server结构的协同编著系统的系统模型。该系统模型比传统的模型更加方便了用户之间通过Internet的浏览器进行协作。 相似文献
34.
Starting from a soliton model of SU(3) gauge fields, we investigate the behaviour of the model at finite temperature. it is found that colour confinement at zero temperature can be melted away under high temperatures. 相似文献
35.
Spectral property and its shape transition on ^72-84Kr isotopes in microscopic core plus two-quasiparticle approach 总被引:1,自引:0,他引:1
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By using a microscopic sdIBM-2 2q.p, approach, the levels of the ground-band, 7-band and partial two-quasi-particle bands for ^72-84Kr isotopes are calculated. The data obtained are in good agreement with the recent experimental results, and successfully reproduce the nuclear shape phase transition of ^72-S4Kr isotopes at zero temperature.The ground-state band is described successfully up to J^π=18^ and Ex=10.0MeV. Based on this model, the aligned requisite minimum energy has been deduced. The theoretical calculations indicate that no distinct change of nuclear states is caused by the abruptly broken pair of a boson, and predict that the first backbending of Kr isotopes may be the result of aligning of two quasi-neutrons in orbit g9/2, which galus the new experimental support of the measurements of g factors in the ^78-86Kr isotopes. 相似文献
36.
《声学学报:英文版》2003,22(4):339-345
The properties of Quasi-longitudinal leaky surface acoustic wave(QLLSAW) on Y-rotated cut quartz substrates were presented. The phase velocity of QLLSAW on the quartz substrate along some orientations can be up from 6200 m/s to 7100 m/s, circa 100% above that of regular SAW. Both theoretical and experimental results show that QLLSAW propagating along some promising orientations for SAW devices are of small power flow angle and low tem-perature coefficient, for example, along the Euler angle (0°155.25°? 42°?, the measurements of phase velocity and temperature coefficient of delay of QLLSAW are 6201 m/s and 12.9 ppm/℃. The experimental results show that QLLSAW had little absorption by liquid loading on the substrate surface, which proved that the direction of particle motion is the same as wave vector and parallel to the surface of the substrates, i.e., the wave is of the properties of longitudinal wave. 相似文献
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A theory is developed for incoherently coupled grey photovoltaic soliton families in unbiased photovoltaic crystals. Both the properties and the forming conditions of these soliton families are discussed in detail. The theory can also be used to investigate the dark photovoltaic soliton families. Some relevant examples are presented, in which the photovoltaic-photorefractive crystal is of lithium niobate type. 相似文献
40.