Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.
Roman LazarskiAsbjörn M. BurowLukás GrajciarMarek SierkaPublished in: J. Comput. Chem. (2016)
Keyphrases
- similarity measure
- segmentation method
- cost function
- preprocessing
- dynamic programming
- experimental evaluation
- detection method
- fitting method
- distributed systems
- high accuracy
- expert systems
- model selection
- least squares
- support vector machine
- parameter estimation
- computational cost
- significant improvement
- model fitting