Single-Hessian GWD conserves non-canonical symplectic structure and energy while matching local harmonic accuracy for molecular spectra at reduced computational cost.
and Dunning, Thom H., Jr
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On the single-Hessian Gaussian wavepacket dynamics
Single-Hessian GWD conserves non-canonical symplectic structure and energy while matching local harmonic accuracy for molecular spectra at reduced computational cost.