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Jacob Sanders edited figures/AnthraceneFreqError/caption.tex
over 9 years ago
Commit id: b111ceff35b14a7eea8269859ab2a77cf6b164a0
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\label{fig:AnthraceneFreqError} \label{fig:Anthracene} Error in the vibrational frequencies of anthracene for different extents of undersampling of the true quantum mechanical Hessian. When only 30\% of the columns are sampled, the maximum error in frequency is within 3 cm\(^{-1}\), and with 35\% sampling, the recovery is essentially exact.
Error in vibrational normal modes of anthracene for different extents of undersampling of the true quantum mechanical Hessian. The error is measured as one minus the overlap (dot product) between the exact quantum mechanical normal mode and the normal mode recovered via compressed sensing. Note the logarithmic scale. Once 30\% of the columns are sampled, the normal modes are recovered to within 1\% (\(10^{-2}\)).