Range-separated hybrids combining a range-separated Perdew-Burke-Ernzerhof functional with exact exchange and random phase approximation correlation
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چکیده
Range-separated hybrids combining a range-separated Perdew-Burke-Ernzerhof functional with exact exchange and random phase approximation correlation
منابع مشابه
Short-range exchange and correlation energy density functionals: beyond the local-density approximation.
We propose approximations which go beyond the local-density approximation for the short-range exchange and correlation density functionals appearing in a multideterminantal extension of the Kohn-Sham scheme. A first approximation consists of defining locally the range of the interaction in the correlation functional. Another approximation, more conventional, is based on a gradient expansion of ...
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