Spin-orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene.
Martin KleinschmidtJörg TatchenChristel M. MarianPublished in: J. Comput. Chem. (2002)
Keyphrases
- detection method
- high accuracy
- test data
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- support vector machine svm
- high precision
- dynamic programming
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- feature set
- optimization method
- test cases
- synthetic data
- error rate
- clustering method
- optimization algorithm
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- computational complexity
- support vector
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- decision trees