
自洽场
A self consistent field nonlinear theory of the gyromonotron is stu***d in this PaPer.
本文研究了一种回旋单腔管的自洽非线性理论。
In this paper using self-consistent field and based on the dynamical equation, plasma echo is discussed.
本文利用自洽场方法以自洽场动力学方程为基础讨论了等离子体回波。
The morphological change and its formation mechanism of polymer membrane system induced by nanoparticle inclusions are investigated by self-consistent field theory.
利用自洽场方法对含有纳米嵌入物的聚合物膜的形貌变化及其形成机理进行了系统的理论研究。
The density profiles in a mixture of bidisperse polymer brushes and solvent are simulated with the aid of a self-consistent field theory.
针对表面接枝二分散聚合物与溶剂的混合体系建立了描述聚合物平衡态密度分布的自洽场理论。
The reason of success is probably the proper choice of a axial-symmetric self-consistent field including a strong spin-orbit coupling.
其原因可能是由于选择了一个较恰当的、含有强自旋轨道耦合的轴对称自洽场。
Using self-consistent field calculation, the new equilibrium morphology of a diblock copolymer melt confined in a brush-covered cylindrical nanopore can be found.
利用自洽场方法研究两嵌段共聚物受限于接枝均聚物链(聚合物刷)圆孔中的自组装相形貌。
The continuum self-consistent field theory on mixtures of flexible polymers and small liquid crystalline molecules is developed.
发展了柔性高分子/小分子液晶混合物连续自洽场理论。
The 'hot' dispersion equation of the coaxial ridge-disk-loaded cylindrical waveguide TWT with an annular electron beam can be firstly obtained according to self-consistent field theory.
引入薄环形电子注,首次建立了脊加载同轴膜片圆波导的注波互作用线性理论,得到小信号条件下的色散方程。
A self-consistent field theory (SCFT) for polydisperse polymers grafted to a surface was developed.
建立了表面接枝多分散聚合物的自洽场理论。
The electronic structures of polyindenoindenes (PInIn) and their derivatives have been stu***d by self - consistent - field crystal orbital method. The substituent effect is also discussed.
用自洽场全略微分晶体轨道法对聚茚并茚及其取代衍生物的电子结构进行了计算研究,探讨了取代基效应。
The electronic structures of polyindenoindenes (PInIn) and their derivatives have been stu***d by self - consistent - field crystal orbital method.
用自洽场全略微分晶体轨道法对聚茚并茚及其取代衍生物的电子结构进行了计算研究,探讨了取代基效应。
A detailed discussion is made on continuum model of solvent effects. Electrostatic model and self-consistent reaction field model are thoroughly reviewed.
对溶剂化效应的连续介质模型,包括经典静电场模型和自洽反应场模型作了较为详细的讨论。
The calculations of self-consistent reaction field (SCRF) method illustrated that the brain uptakes of the complexes relied on their absolute hydrate free energies.
溶剂自洽反应场方法的计算结果表明同类配合物的脑吸收值取决于绝对水化自由能;
The solvent effects are carried out by the self-consistent reaction field theory with the polarizable continuum model in this work.
本文用自洽反应场的连续极化模型来模拟计算溶剂效应。
Simulation of the solvent effects is carried out by the self-consistent reaction field theory with the polarizable continuum model.
利用含时的密度泛函理论来计算分子的非线性光学性质,而溶剂效应则通过自洽响应场方法的极化连续模型来模拟。
Compound type structure of knowledge makes me can be competent for the social various job, but, hope still can find a consistent with self special field job.
复合型知识结构使我能胜任社会上的多种工作,但仍然希望能找到一份与自己专业对口的工作。
With respect to the three-dimensional XY model which attracts the most attention of our latter work's, we introduced the spin wave theory and the self-consistent mean-field theory applied in it.
对于我们研究工作的主要对象三维XY模型,介绍了自旋波和自洽平均场理论在其中的应用。
The triaxial deformations of candidate nuclei of the chiral doublets bands in A - 100 mass region are investigated in a microscopic and self-consistent triaxial relativistic mean field (RMF) approach.
利用三轴形变的相对论平均场(RMF)理论讨论了A-100核区手征双重带候选核的三轴形变。
In this paper, the probe sample interaction equations based on dipole self consistent theory are given, and the resolution of near field scanning optical microscopy is calculated numerically.
运用偶极子自洽场理论给出探针样品相互作用的计算公式,并由此模拟计算近场扫描光学显微镜的系统分辨率。
An efficient, self-consistent method of Monte Carlo and Poisson equation is used to simulate the electrical characteristic of deep submicron metal-oxide-semiconductor field effect Transistor(MOSFET).
用蒙特卡罗-泊松方程自洽求解的方法,对深亚微米金属-氧化物-半导体场效应晶体管——MOSFET的电特性进行了模拟。
A self-consistent steady equilibrium model of the Jovian magnetodisc is developed, in which the radial plasma flow and azimuthal component of the magnetic field are included.
从磁流体力学方程组出发,建立了一个自洽的稳态木星磁盘模式,在这个模式中包括了径向等离子体流和方位角方向的磁场。
Atom-field interaction Hamiltonian is presented and applied to two-level atom system; Equation of motion for the density matrix and Maxwell's equations form a self-consistent set of equations.
首先介绍原子和场相互作用的哈密顿量,然后把它运用于二能级原子,并介绍了原子的密度矩阵方程和麦克斯韦方程,形成一组自洽方程,为下面几章的数值模拟作好铺垫。
The beam-wave interaction of an open rectangular grating waveguide SWS is analyzed. The 'hot' dispersion equation of the SWS is obtained according to the self-consistent field theory.
采用自洽场理论,推导出了“热”色散方程,并通过数值计算的方法考察了慢波结构参数以及电子注参数对小信号增益的影响。
自洽场(Self-Consistent Field, SCF)是量子化学和计算物理中的核心方法,用于求解多粒子系统的波函数或电子结构。其核心思想是通过迭代计算,使初始假设的物理量与最终计算结果达到一致,从而逼近真实解。例如,在Hartree-Fock方法中,电子间的相互作用被近似为平均场,每个电子的运动状态通过不断调整波函数,直至能量和电荷密度不再显著变化,即实现自洽。
该方法的关键步骤包括:
自洽场方法在密度泛函理论(DFT)和分子轨道计算中广泛应用,例如通过求解Kohn-Sham方程预测分子性质。数学上,其基础可追溯至Hartree方程($$ -frac{hbar}{2m} abla psii + V{text{eff}} psi_i = epsilon_i psii $$),其中有效势$V{text{eff}}$依赖于所有电子的空间分布。
权威文献如《量子化学基础》(Szabo & Ostlund)和计算化学期刊《Journal of Chemical Physics》均详细论证了该方法的数学严谨性及其在简化多体问题中的有效性。
“self-consistent field”(自洽场)是量子化学和计算物理中常用的理论方法,主要用于求解多粒子体系的电子结构。以下是详细解释:
自洽场方法的核心思想是通过迭代计算,使体系的总能量和电子分布达到自洽状态。具体来说:
自洽场方法通过数学上的自洽迭代,将复杂的多体问题转化为可计算的单粒子模型,是计算材料科学和量子化学的基石之一。实际应用中需注意其近似假设对结果的影响。
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