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quant-ph2026
Sample-based quantum simulation of vibrational structure of polyyne chains
Sarah Mostame, Tanvi P. Gujarati, Alberto Baiardi +3
Predicting anharmonic vibrational spectra is a complex computational task, which becomes quickly infeasible as molecular size and the number of vibrational basis functions increase…
quant-ph2023★ 4 cited
Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis
Dimitar Trenev, Pauline J Ollitrault, Stuart M. Harwood +4
Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with…