Table 1 Estimated resources for UCCSD ansatz with and without symmetry reduction.

From: Variational quantum eigensolver techniques for simulating carbon monoxide oxidation

 

N. qubits

N. singles

N. doubles

H4 (no symm)

8

8

18

H4 (symm)

5

4

10

LiH (no symm)

10

8

16

LiH (symm)

6

4

6

H2O (no symm)

12

16

76

H2O (symm)

8

6

24

CO (no symm)

16

30

285

CO (symm)

12

10

75

O2 (no symm)

16

22

135

O2 (symm)

11

2

22

CO2 (no symm)

24

64

1360

CO2 (symm)

19

12

192

  1. Columns represent the number of qubits in the molecular Hamiltonian, number of single excitations, and number of double excitations. All the values are provided for the minimal basis set within frozen core approximation.
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