Calculations of frequency-dependent molecular magnetizabilities with quasi-relativistic time-dependent generalized unrestricted Hartree-Fock method.
Terutaka YoshizawaMasahiko HadaPublished in: J. Comput. Chem. (2007)
Keyphrases
- main contribution
- detection method
- objective function
- high precision
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- optimization method
- neural network
- support vector machine
- computational cost
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- computationally efficient
- theoretical analysis
- dynamic programming
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- multiresolution
- preprocessing
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