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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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method of discharging
method of discrepancies
method of discrete ordinates
method of division in halves
method of dominant function
method of double threshold values
method of educational culture study
method of eight flight
method of electronic system engineering
method of electrostatic sourceimage
method of elementary geometric construction
method of elimination
method of energy estimates
method of energy integral
method of equal interval
method of equating
method of equating coefficients
method of equivalent nonlinear system
method of estimation
method of ethical rules screen: ethical principle screening method
method of Euclidean construction
method of exclusion
method of exhaustion
method of exhaustion; exhausting (bruteforce) method
method of extensions and restrictions
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