Article ID Journal Published Year Pages File Type
5383166 Chemical Physics Letters 2012 5 Pages PDF
Abstract
► We propose a double-hybrid density functional without fitting to accurate data. ► This new functional is shown to perform well for self-interaction problems. ► This new functional is shown to perform well for noncovalent interactions.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Seeking for reliable double-hybrid density functionals without fitting parameters: The PBE0-2 functional
Authors
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