Analytical excited state forces for the time-dependent density-functional tight-binding method.
D. HeringerT. A. NiehausMarius WankoThomas FrauenheimPublished in: J. Comput. Chem. (2007)
Keyphrases
- high accuracy
- computationally efficient
- cost function
- computational cost
- clustering method
- optimization algorithm
- similarity measure
- classification accuracy
- experimental evaluation
- dynamic programming
- significant improvement
- lower bound
- synthetic data
- fully automatic
- edge detection
- objective function
- clustering algorithm
- detection method
- energy function
- segmentation method