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 |