An efficient algorithm for complete active space valence bond self-consistent field calculation.
Jinshuai SongZhenhua ChenSason ShaikWei WuPublished in: J. Comput. Chem. (2013)
Keyphrases
- higher dimensional
- search space
- dynamic programming
- learning algorithm
- globally optimal
- improved algorithm
- k means
- significant improvement
- cost function
- experimental evaluation
- expectation maximization
- classification algorithm
- theoretical analysis
- computationally efficient
- preprocessing
- detection algorithm
- matching algorithm
- times faster
- similarity measure
- space requirements
- data sets
- particle swarm optimization
- probabilistic model
- segmentation algorithm
- computational cost
- solution space
- selection algorithm
- objective function