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Using an iterative eigensolver and intertwined rank reduction to compute vibrational spectra of molecules with more than a dozen atoms: Uracil and naphthalene
Thomas, Phillip S., Carrington, Tucker, Agarwal, Jay, Schaefer, Henry F.Volume:
149
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5039147
Date:
August, 2018
File:
PDF, 918 KB
english, 2018