Finite-field method with unbiased polarizable continuum model for evaluation of the second hyperpolarizability of an open-shell singlet molecule in solvents.
Tomoya InuiYasuteru ShigetaKatsuki OkunoTakeshi BabaRyohei KishiMasayoshi NakanoPublished in: J. Comput. Chem. (2013)
Keyphrases
- evaluation method
- probabilistic model
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- bp neural network
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- hybrid method
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- segmentation algorithm
- energy function
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- prior information