نتایج جستجو برای: functional expansion

تعداد نتایج: 716870  

Journal: :Profile: Issues in Teachers´ Professional Development 2019

Journal: :Physical chemistry chemical physics : PCCP 2018
Bikash Patra Subrata Jana Prasanjit Samal

The exchange hole, which is one of the principal constituents of the density functional formalism, can be used to design accurate range-separated hybrid functionals in association with appropriate correlation. In this regard, the exchange hole derived from the density matrix expansion has gained attention due to its fulfillment of some of the desired exact constraints. Thus, the new long-range ...

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