Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization.
Krzysztof WolinskiRobert HaackeJames F. HintonPeter PulayPublished in: J. Comput. Chem. (1997)
Keyphrases
- significant improvement
- preprocessing
- computational cost
- synthetic and real images
- classification method
- synthetic and real datasets
- parallel computation
- integral image
- detection algorithm
- parallel implementation
- reconstruction method
- dynamic programming
- computationally efficient
- segmentation algorithm
- heuristic methods
- segmentation method
- probabilistic model
- objective function
- similarity measure
- calculation method
- clustering method
- k means
- energy function
- convergence rate
- expectation maximization
- computational complexity
- matching algorithm
- input data
- image matching
- parallel algorithm
- cloud computing
- support vector machine
- interpolation method
- learning algorithm
- real time