Extension of the D3 and D4 London dispersion corrections to the full actinides series
Lukas Wittmann, Igor Gordiy, Marvin Friede, Benjamin Helmich‐Paris, Stefan Grimme, Andreas Hansen, Markus Bursch
Abstract
SCAN-3c. They are implemented in our freely available standalone codes (dftd4, s-dftd3) and the D4 version will be also available in the upcoming ORCA 6.0 program package.
Topics & Concepts
Series (stratigraphy)Extension (predicate logic)ActinidePhysicsMathematicsNuclear physicsComputer scienceGeologyProgramming languagePaleontologyRadioactive element chemistry and processingRare-earth and actinide compoundsNuclear physics research studies