Fast Geometry Optimization Using a Modifed Extended Hückel Method: Results for Molecules Containing H, C, N, O, and F.
Steven L. DixonPeter C. JursPublished in: J. Comput. Chem. (1994)
Keyphrases
- detection method
- experimental evaluation
- fully automatic
- optimization method
- computational cost
- significant improvement
- constrained optimization
- preprocessing
- pairwise
- prior knowledge
- clustering method
- combinatorial optimization
- support vector machine
- classification method
- optimization algorithm
- synthetic data
- support vector machine svm
- segmentation method
- data sets
- high accuracy
- cost function
- similarity measure
- convergence rate
- optimization process
- optimization model
- quadratic programming
- edge detection
- detection algorithm
- optimization problems
- dynamic programming
- high resolution
- computational complexity
- image processing
- feature selection
- genetic algorithm