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projector augmented wave
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projector augmented wave
Encyclopedia
理学
计算与理论化学
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projector augmented wave
投影缀加波
通过一组投影算符来实现全电子波函数与赝波函数之间的变换,使得可以通过对赝波函数的变分计算来得到全电子波函数的信息,而避免了通常赝势方法(包括模守恒赝势与超软赝势)中所必须引入的对芯层电子与价电子分离处理的线性化近似。是求解固体材料密度泛函理论科恩-沈方程较为常用的方法之一。
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activated sludge process
activated T cell-autonomous death
activated T cell-autonomous death (ACAD)
activated tunneling
activate primitive
Activating events- Beliefs- Consequences therapy
activating group
activation
activation analysis
activation coefficient
activation controlled reaction
activation cross section
activation cross-section
activation detector
activation domain
activation energy
activation energy at 0 K
activation energy of elementary reaction
activation energy of reaction
activation function
activation grafting
activation induced cell death,AICD
activation-inhibition model
activation of mineral flotation
activation of p-type GaN
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