A pair density functional theory utilizing the correlated wave function
نویسندگان
چکیده
منابع مشابه
Embedding wave function theory in density functional theory.
We present a framework for embedding a highly accurate coupled-cluster calculation within a larger density functional calculation. We use a perturbative buffer to help insulate the coupled-cluster region from the rest of the system. Regions are defined, not in real space, but in Hilbert space, though connection between the two can be made by spatial localization of single-particle orbitals. Rel...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2009
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/150/4/042056