Table 1 Four-spin representation of the two-electron, NaH Hamiltonian and expectation value of the Pauli strings with respect to the UCCD ansatz for r=1.91438Ã…
From: Numerical simulations of noisy quantum circuits for computational chemistry
j | cj(r0) [Ha] | Pj | 〈Pj(θ)〉 |
|---|---|---|---|
0 | -159.40289 | I0I1I2I3 | 1 |
1 | 0.0323625 | X0X1I2I3 | 0 |
2 | 0.0202421 | X0X1X2X3 | −sinθ |
3 | 0.0202421 | X0X1Y2Y3 | −sinθ |
4 | 0.0229208 | X0X1Z2I3 | 0 |
5 | -0.00944179 | X0X1I2Z3 | 0 |
6 | 0.0323625 | I0I1X2X3 | 0 |
7 | 0.0323625 | Y0Y1I2I3 | 0 |
8 | 0.0202421 | Y0Y1X2X3 | −sinθ |
9 | 0.0202421 | Y0Y1Y2Y3 | −sinθ |
10 | 0.0229208 | Y0Y1Z2I3 | 0 |
11 | -0.00944179 | Y0Y1I2Z3 | 0 |
12 | 0.0323625 | I0I1Y2Y3 | 0 |
13 | 0.0149385 | Z0I1I2I3 | −cosθ |
14 | 0.0229208 | Z0I1X2X3 | 0 |
15 | 0.0229208 | Z0I1Y2Y3 | 0 |
16 | 0.0816923 | Z0Z1I2I3 | −1 |
17 | 0.158901 | Z0I1Z2I3 | 1 |
18 | 0.101934 | Z0I1I2Z3 | −1 |
19 | -0.387818 | I0Z1I2I3 | −cosθ |
20 | -0.00944179 | I0Z1X2X3 | 0 |
21 | -0.00944179 | I0Z1Y2Y3 | 0 |
22 | 0.101934 | I0Z1Z2I3 | −1 |
23 | 0.117450 | I0Z1I2Z3 | 1 |
24 | 0.0149385 | I0I1Z2I3 | −cosθ |
25 | 0.0816923 | I0I1Z2Z3 | −1 |
26 | -0.387818 | I0I1I2Z3 | cosθ |