
自洽場
A self consistent field nonlinear theory of the gyromonotron is stu***d in this PaPer.
本文研究了一種回旋單腔管的自洽非線性理論。
In this paper using self-consistent field and based on the dynamical equation, plasma echo is discussed.
本文利用自洽場方法以自洽場動力學方程為基礎讨論了等離子體回波。
The morphological change and its formation mechanism of polymer membrane system induced by nanoparticle inclusions are investigated by self-consistent field theory.
利用自洽場方法對含有納米嵌入物的聚合物膜的形貌變化及其形成機理進行了系統的理論研究。
The density profiles in a mixture of bidisperse polymer brushes and solvent are simulated with the aid of a self-consistent field theory.
針對表面接枝二分散聚合物與溶劑的混合體系建立了描述聚合物平衡态密度分布的自洽場理論。
The reason of success is probably the proper choice of a axial-symmetric self-consistent field including a strong spin-orbit coupling.
其原因可能是由于選擇了一個較恰當的、含有強自旋軌道耦合的軸對稱自洽場。
Using self-consistent field calculation, the new equilibrium morphology of a diblock copolymer melt confined in a brush-covered cylindrical nanopore can be found.
利用自洽場方法研究兩嵌段共聚物受限于接枝均聚物鍊(聚合物刷)圓孔中的自組裝相形貌。
The continuum self-consistent field theory on mixtures of flexible polymers and small liquid crystalline molecules is developed.
發展了柔性高分子/小分子液晶混合物連續自洽場理論。
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.
引入薄環形電子注,首次建立了脊加載同軸膜片圓波導的注波互作用線性理論,得到小信號條件下的色散方程。
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場理論。
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.
用自洽場全略微分晶體軌道法對聚茚并茚及其取代衍生物的電子結構進行了計算研究,探讨了取代基效應。
The electronic structures of polyindenoindenes (PInIn) and their derivatives have been stu***d by self - consistent - field crystal orbital method.
用自洽場全略微分晶體軌道法對聚茚并茚及其取代衍生物的電子結構進行了計算研究,探讨了取代基效應。
A detailed discussion is made on continuum model of solvent effects. Electrostatic model and self-consistent reaction field model are thoroughly reviewed.
對溶劑化效應的連續介質模型,包括經典靜電場模型和自洽反應場模型作了較為詳細的讨論。
The calculations of self-consistent reaction field (SCRF) method illustrated that the brain uptakes of the complexes relied on their absolute hydrate free energies.
溶劑自洽反應場方法的計算結果表明同類配合物的腦吸收值取決于絕對水化自由能;
The solvent effects are carried out by the self-consistent reaction field theory with the polarizable continuum model in this work.
本文用自洽反應場的連續極化模型來模拟計算溶劑效應。
Simulation of the solvent effects is carried out by the self-consistent reaction field theory with the polarizable continuum model.
利用含時的密度泛函理論來計算分子的非線性光學性質,而溶劑效應則通過自洽響應場方法的極化連續模型來模拟。
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.
複合型知識結構使我能勝任社會上的多種工作,但仍然希望能找到一份與自己專業對口的工作。
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.
對于我們研究工作的主要對象三維XY模型,介紹了自旋波和自洽平均場理論在其中的應用。
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.
利用三軸形變的相對論平均場(RMF)理論讨論了A-100核區手征雙重帶候選核的三軸形變。
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.
運用偶極子自洽場理論給出探針樣品相互作用的計算公式,并由此模拟計算近場掃描光學顯微鏡的系統分辨率。
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).
用蒙特卡羅-泊松方程自洽求解的方法,對深亞微米金屬-氧化物-半導體場效應晶體管——MOSFET的電特性進行了模拟。
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.
從磁流體力學方程組出發,建立了一個自洽的穩态木星磁盤模式,在這個模式中包括了徑向等離子體流和方位角方向的磁場。
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.
首先介紹原子和場相互作用的哈密頓量,然後把它運用于二能級原子,并介紹了原子的密度矩陣方程和麥克斯韋方程,形成一組自洽方程,為下面幾章的數值模拟作好鋪墊。
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.
采用自洽場理論,推導出了“熱”色散方程,并通過數值計算的方法考察了慢波結構參數以及電子注參數對小信號增益的影響。
自洽場(Self-Consistent Field, SCF)是量子化學和計算物理中的核心方法,用于求解多粒子系統的波函數或電子結構。其核心思想是通過疊代計算,使初始假設的物理量與最終計算結果達到一緻,從而逼近真實解。例如,在Hartree-Fock方法中,電子間的相互作用被近似為平均場,每個電子的運動狀态通過不斷調整波函數,直至能量和電荷密度不再顯著變化,即實現自洽。
該方法的關鍵步驟包括:
自洽場方法在密度泛函理論(DFT)和分子軌道計算中廣泛應用,例如通過求解Kohn-Sham方程預測分子性質。數學上,其基礎可追溯至Hartree方程($$ -frac{hbar}{2m} abla psii + V{text{eff}} psi_i = epsilon_i psii $$),其中有效勢$V{text{eff}}$依賴于所有電子的空間分布。
權威文獻如《量子化學基礎》(Szabo & Ostlund)和計算化學期刊《Journal of Chemical Physics》均詳細論證了該方法的數學嚴謹性及其在簡化多體問題中的有效性。
“self-consistent field”(自洽場)是量子化學和計算物理中常用的理論方法,主要用于求解多粒子體系的電子結構。以下是詳細解釋:
自洽場方法的核心思想是通過疊代計算,使體系的總能量和電子分布達到自洽狀态。具體來說:
自洽場方法通過數學上的自洽疊代,将複雜的多體問題轉化為可計算的單粒子模型,是計算材料科學和量子化學的基石之一。實際應用中需注意其近似假設對結果的影響。
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