Development of new pseudopotential methods: Improved model core potentials for the first-row transition metals.
Christopher C. LovalloMariusz KlobukowskiPublished in: J. Comput. Chem. (2003)
Keyphrases
- high level
- preprocessing
- computational model
- data mining
- qualitative and quantitative
- experimental data
- linear regression
- probabilistic model
- higher order
- high order
- machine learning methods
- statistical models
- hybrid method
- monte carlo simulation
- prediction model
- conceptual model
- theoretical framework
- statistical model
- em algorithm
- cost function
- case study
- e learning
- formal model
- information systems
- genetic algorithm
- neural network