Table 1 Hamiltonian parameters for the nuclear spins in carbon-13-labelled trans-crotonic acid.

From: Digital quantum simulation of the statistical mechanics of a frustrated magnet

 

M

H1

H2

C 1

C 2

C 3

C 4

M

−1301

      

H1

6.88

−4859

     

H2

−1.72

15.52

−4078

    

C1

127.16

3.98

6.36

−2996

   

C2

−7.10

155.42

−0.66

41.62

−25,516

  

C3

6.58

−1.74

161.00

1.46

69.66

−21,585

 

C4

−0.94

6.46

3.72

7.02

1.18

72.16

−29,457

T2(s)

0.80

0.76

0.74

1.02

0.92

0.87

0.94

T1(s)

2.4

3.2

3.3

5.7

5.3

5.6

10.2

  1. The chemical shifts and J-coupling constants (in Hz) are listed on and below the diagonal, respectively, in the table. The longitudinal and transversal relaxation times T1 and T2 measured by standard inversion recovery and Hahn echo pulse sequences are listed at bottom. The chemical shifts are given with respect to reference frequencies of 700.13 MHz (proton) and 176.05 MHz (carbon). The molecule has seven qubits because the methyl group M can be treated as a single qubit, using a gradient-based subspace selection method41.
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