... 几何优选法 geometry optimization 经典优选法 经典优选法 classicaloptimization 优选法理论与应用杂志》美国 JOURNAL OF OPTIMIZATION THEORY AND APPLICATIONS ...
基于72个网页-相关网页
(2)几何构型优化(Geometry Optimization) 几何构型优化是使用程序设定的方式,通过反复调变键参数,沿着势能曲线到达最小值以找到体系能量最低的稳定构型。
基于32个网页-相关网页
首先进行氯化乙烯分子、正离子和负离子的几何优选(geometry optimization),在计算过程中,分子的几何形状会持续调整,直到达成位 能曲面上的稳定点为止。
基于8个网页-相关网页
Molecular geometry optimization 分子结构优化
Beam geometry optimization 束构形优化
full geometry optimization 全构型优化
nozzle geometry optimization 喷管几何形状最优化
concurrent design geometry optimization 几何优化
geometry optimization of truss structure 桁架几何优化设计
geometry y optimization 几何优选法
optimization geometry parameters 最优化参数
Geometry-Based Shape Optimization 基于几何形状的优化
Through the geometry optimization and energy calculation,the lattice constant, electronic structure,spin distribution,as well as the size of magnetic moment of the material have been obtained.
通过几何结构优化和能量计算,得到了材料的晶格常数,电子结构,自旋分布,以及磁矩的大小。
参考来源 - HalfOn the basis of modeling ancient architecture, carries on the key technologies in modeling process, has studied the geometry optimization techniques and the texture optimization techniques with emphasis.
在建立的模型基础上,对建模过程应用的关键技术,进行详细阐述,重点研究了几何优化技术和纹理优化技术。
参考来源 - 基于虚拟现实的古建筑建模技术的研究和应用Firstly, basing on Materials Studio and its modules of Visualizer and CASTEP, we have performed geometry optimization and calculation of free energy for crystal structure of titanium-aluminium intermetallic compound.
首先,基于Materials Studio软件及其Visualizer和CASTEP模块,对钛铝金属间化合物晶体结构进行几何优化和自由能计算。
参考来源 - 钛铝金属间化合物的稳定性和表面抗氧化性的理论研究·2,447,543篇论文数据,部分数据来源于NoteExpress
Geometry optimization is possible also for state average RASSCF energies.
几何优化也有可能为国家的平均RASSCF能量。
Geometry optimization calculations indicate that all the six fluorinated ethylene cations have planar structures, in contrast with the non planar D2 structure of the ethylene cation.
结果表明,与具有非平面结构的乙烯阳离子不同,六种氟代乙烯阳离子都只具有平面结构;
The procedure is based on a finite difference time domain(FDTD) scheme. The numerical results will offer theoretic reference for streamer discharge simulation or geometry optimization of reactor.
数值计算运用时域有限差分(FDTD)法,数值模拟结果为以后的反应器流光放电模拟及结构优化提供依据。
应用推荐