Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace.
Andriy KovalenkoSeiichiro Ten-noFumio HirataPublished in: J. Comput. Chem. (1999)
Keyphrases
- mathematical model
- statistical model
- desirability function
- optimization method
- theoretical analysis
- input data
- closed form
- cost function
- objective function
- similarity measure
- surface model
- probabilistic model
- sensitivity analysis
- prior knowledge
- three dimensional
- pairwise
- linear model
- parameter estimation
- classification method
- boundary value problem
- principal components analysis
- modeling method
- reconstruction method
- numerical methods
- optimization procedure
- autoregressive
- gaussian distribution
- linear equations
- diffusion model
- multi view
- closed form solutions
- x ray
- clustering method
- d objects
- finite difference
- iterative methods
- feature space
- gauss seidel
- support vector machine