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. 2020 Jun 11;11(26):6842–6855. doi: 10.1039/d0sc01908a

Table 1. Quantum circuit resource estimation for the calculation of the ground-state vibrational energy of CO2, H2CO, and HCOOH with the UVCC and CHC approaches including single and double excitations. The number of CNOT gates (CX) is given for both approaches. The number of variational parameters is the same in both wavefunctions.

Molecule Modes Modals CX UVCC CX CHC Parameters
CO2 4 2 304 44 10
4 2640 348 66
6 7280 940 170
8 14 224 1820 322
10 23 472 2988 522
H2CO 6 2 744 102 21
4 6552 846 153
6 18 120 2310 405
8 35 448 4494 777
10 58 536 7398 1269
HCOOH 9 2 1764 234 45
4 15 660 1998 351
6 43 380 5490 945
8 84 924 10 710 1827
10 140 292 17 658 2997