DFT-D4 counterparts of leading meta-generalized-gradient approximation and hybrid density functionals for energetics and geometries.
Asim NajibiLars GoerigkPublished in: J. Comput. Chem. (2020)
Keyphrases
- frequency domain
- piecewise constant
- higher order
- special case
- closed form
- maximum error
- edge detection
- error bounds
- approximation methods
- convex functions
- approximation algorithms
- smooth functions
- spatial data
- approximation schemes
- gradient orientation
- low density
- gradient field
- image gradient
- polygonal approximation
- approximation spaces
- discrete fourier transform
- image processing
- meta level
- fourier transform
- bayesian networks