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Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy

✍ Scribed by Kanai, Yosuke; Grossman, Jeffrey C.


Book ID
120289614
Publisher
The American Physical Society
Year
2009
Tongue
English
Weight
267 KB
Volume
80
Category
Article
ISSN
1050-2947

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## Abstract The interaction energies of ubiquitous weakly polar interactions in proteins are comparable with those of hydrogen bonds, consequently, they stabilize local, secondary, and tertiary structures. However, the most widely‐used density functionals fail to describe the weakly polar interacti