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投影缀加波
释义
投影缀加波
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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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projector augmented waves
投影缀加波
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