The article elaborates the method of adding pseudo - potential to ab initio calculation to solve problems in multi - electron system.
文章介绍了在从头计算方法中加入赝势来求解多电子体系问题的方法。
The variation finite element method (FEM) using the pseudo-potential function was presented for the simulation of transonic rotational flows.
本文运用赝势函数变分有限元方法数值模拟了绕翼型的跨音速有旋流动。
The variational of finite element method(FEM) using the pseudo-potential function is presented to design the airfoil shape of transonic rotational flows.
本文运用赝势函数变域变分有限元方法进行了跨音速翼型设计。
The optical properties and electrical structure of V in ZnS supercell have been computed by means of plane wave pseudo-potential method(PWP) with generalized gradient approximation(GGA).
运用密度泛函平面波赝势方法(PWP)和广义梯度近似(GGA),对替代式掺杂钒(V)的闪锌矿(ZnS)的超晶胞电子结构进行了计算。
The optical properties and electrical structure of V in ZnS supercell have been computed by means of plane wave pseudo-potential method(PWP) with generalized gradient approximation(GGA).
运用密度泛函平面波赝势方法(PWP)和广义梯度近似(GGA),对替代式掺杂钒(V)的闪锌矿(ZnS)的超晶胞电子结构进行了计算。
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