The polarizable continuum model (PCM) interfaced with the fragment molecular orbital method (FMO).
Dmitri G. FedorovKazuo KitauraHui LiJan H. JensenMark S. GordonPublished in: J. Comput. Chem. (2006)
Keyphrases
- mathematical model
- probabilistic model
- statistical model
- cost function
- objective function
- bp neural network
- modeling method
- prior information
- detection method
- em algorithm
- evaluation method
- pairwise
- clustering method
- sensitivity analysis
- statistical information
- test data
- monte carlo simulation
- closed form
- hybrid model
- prior knowledge
- significant improvement
- parameter estimation
- theoretical analysis
- evaluation model
- optimization method
- maximum likelihood
- reconstruction method
- linear regression
- gaussian distribution
- autoregressive
- coding scheme
- linear model
- neural network
- bayesian framework
- multiresolution
- high order
- classification method
- tree structure
- segmentation method
- mutual information
- input data