منابع مشابه
Generalized De-embedding Techniques
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The bi-functional for the non-electrostatic part of the exact embedding potential of frozen-density embedding theory (FDET) depends on whether the embedded part is described by means of a real interacting many-electron system or the reference system of non-interacting electrons (see [Wesolowski, Phys. Rev. A. 77, 11444 (2008)]). The difference δΔF(MD)[ρ(A)]/δρ(A)(r), where ΔF(M...
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Theory of Generalized Piezoporo Thermoelasticity
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry Letters
سال: 2017
ISSN: 1948-7185
DOI: 10.1021/acs.jpclett.7b00689