A practical and efficient method to calculate AIM localization and delocalization indices at post-HF levels of theory.
Yi-Gui WangNick Henry WerstiukPublished in: J. Comput. Chem. (2003)
Keyphrases
- high precision
- computationally efficient
- cost function
- detection method
- image processing
- synthetic data
- pairwise
- clustering method
- experimental evaluation
- real world
- optimization method
- support vector machine
- computational cost
- objective function
- data sets
- input data
- dynamic programming
- support vector machine svm
- prior knowledge
- bayesian networks
- similarity measure
- covariance matrix
- highly efficient