Using the tight binding molecular dynamics model (TBMD), Na cluster collision processes have been studied at the different initial conditions.
利用紧束缚模型，通过对不同初始条件下的碱金属团簇的碰撞研究，得到形成大分子团簇的可能性。
As conducting polymers belong to the system of wide energy band, the SSH model in a state of tight-binding approximation is too crude.
由于导电高分子是宽能带体系；对于该体系来说，紧束缚近似下的SSH模型是过于粗糙的。
The adsorption properties of hydrogen on the supported-metal surfaces are investigated using the Green function method within the framework of tight-binding approximation.
应用格林函数方法在紧束缚近似下研究了氢在担载金属表面的吸附性质。
Within a two-band tight-binding model driven by a dc-ac electric field, we investigate the effect of external noise on the transport property of electrons in superlattices.
运用直交流电场驱动下的双带紧束缚模型，研究了噪声对超晶格中电子输运性质的影响。
On the basis of the tight-binding approach in the energy-band theory, the EHMO crystal orbit program to be used in a microcomputer was compiled in the FORTRAN language.
根据能带理论中紧束缚近似方法，用FORTRAN语言编制了适于微机使用的EHMO晶体轨道程序。
The band structure model of commensurate double-walled carbon nanotube (DWNT) was built by using tight-binding Hamiltonian with curvature effect included.
采用紧束缚能带理论，利用所提出的考虑卷曲效应的紧束缚能量哈密顿量，建立了公度双壁碳纳米管（DWNT）的能带结构模型；
The paper investigates the time evolution of a Gaussian wave packet in a tight-binding ring model with uniform nearest-neighbor hopping integral.
探讨了一维均匀紧束缚环模型中高斯波包的时间演化规律。
Experimental results are discussed with the tight-binding model.
利用紧束缚模型，讨论了实验结果。
Firstly, the influence of point defects on the density of states and conductance for metallic carbon nanotubes is studied based on the tight-binding model.
首先，基于紧束缚模型研究了非磁性点缺陷对金属型单壁碳纳米管态密度和电导的影响。
The tight-binding approximation is employed to model the substrates.
用紧束缚模型描述衬底。
The tight-binding approximation is employed to model the substrates.
用紧束缚模型描述衬底。
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