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Ab initio calculation of the deformation potential and photoelastic coefficients of silicon with a non-uniform finite-difference solver based on the local density approximation

机译：基于局部密度近似的非均匀有限差分求解器从头算硅的变形势和光弹性系数

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Witzens Jeremy;
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1. Ab initio calculation of the deformation potential and photoelastic coefficients of silicon with a non-uniform finite-difference solver based on the local density approximation [J] . Jeremy Witzens Computer physics communications . 2014,第8期

机译：基于局部密度近似的非均匀有限差分求解器从头算硅的变形势和光弹性系数
2. Ab initio quasi-particle approximation bandgaps of silicon nanowires calculated at density functional theory/local density approximation computational effort [J] . M. Ribeiro Jr. Journal of Applied Physics . 2015,第23期

机译：以密度泛函理论/局部密度近似计算成果计算的硅纳米线的从头算起准粒子近似带隙
3. On the required shape corrections to the local density and generalized gradient approximations to the Kohn-Sham potentials for molecular response calculations of (hyper) polarizabilities and excitation energies [J] . Myrta Gruning, Oleg V.Gritsenko, Stan J.A.Van Gisbergen, The Journal of Chemical Physics . 2002,第22期

机译：对所需的形状校正（局部密度）和Kohn-Sham势的广义梯度近似，以用于（超）极化率和激发能的分子响应计算
4. Density-Dependent Exchange-Correlation Potentials Derived From highly Accurate Ab initio Calculations [C] . S. Smiga, A. Buksztel, I. Grabowski Proceedings of MEST . 2014

机译：依赖于高精度AB Initio计算的密度相关的交换相关电位
5. On the rate of convergence of the finite-difference approximations for parabolic Bellman equations with constant coefficients. [D] . Luo, Jun. 2007

机译：具有常数系数的抛物线型Bellman方程的有限差分近似的收敛速度。
6. Data files for ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes [O] . Michael R. Fellinger, Louis G. Hector Jr., Dallas R. Trinkle 2017

机译：从头算计算含溶质的bcc Fe的晶格参数和弹性刚度系数的数据文件
7. Ab initio calculation of the deformation potential and photoelastic coefficients of silicon with a non-uniform finite-difference solver based on the local density approximation [O] . Witzens, Jeremy 2014

机译：基于局部密度近似的非均匀有限差分求解器从头算硅的变形势和光弹性系数
8. Comparative Study of Nonlocal Density Functional Theory and ab initio Methods:The Potential Energy Surface of sym-Triazine Reactions [R] . Pai, S. V., Chabalowski, C. F., Rice, B. M. 1996

机译：非局域密度泛函理论与从头算方法的比较研究：sym-三嗪反应的势能面

Ab initio calculation of the deformation potential and photoelastic coefficients of silicon with a non-uniform finite-difference solver based on the local density approximation

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