Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme.
Marcela HrdáTomás KulichMichal RepiskýJozef NogaOlga L. MalkinaVladimir G. MalkinPublished in: J. Comput. Chem. (2014)
Keyphrases
- computational complexity
- theoretical analysis
- preprocessing
- vlsi implementation
- k means
- globally optimal
- learning algorithm
- iterative procedure
- improved algorithm
- expectation maximization
- polynomial time approximation
- recursive algorithm
- detection algorithm
- particle swarm optimization
- simulated annealing
- experimental evaluation
- recognition algorithm
- objective function
- classification scheme
- selection algorithm
- matching algorithm
- clustering method
- probabilistic model
- input data
- optimization algorithm
- computational cost
- high accuracy
- computationally efficient
- cost function
- parallel architecture
- multi objective
- evolutionary algorithm
- linear programming