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Generalized adiabatic connection in density functional theory

Authors: Weitao Yang;

Generalized adiabatic connection in density functional theory

Abstract

A generalized adiabatic connection is developed for density functional theory. The method extends the well-known adiabatic connection formula and provides a general link between the Kohn–Sham and the physical system. When the complimentary error function is used as a special case, the expression for the exchange-correlation functional does not have the 1/r12 Coulomb component. The exact contributions from the physical system and the noninteracting system are established: The physical system limit has a dominant contribution, while the noninteracting system limit has no contribution.

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Powered by OpenAIRE graph
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
78
Top 10%
Top 10%
Average
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