Table 5 One-norm and the number of Toffoli gates per block encoding

From: Quantum simulations of chemistry in first quantization with any basis set

Sytem

One-norm

One-norm

Toffoli

Toffoli

 

(DPW, This work)

(PW, Su et al.25)

(DPW, This work, min-T)

(PW, Su et al.25)

UEG-14

153

171

1.23 × 103

1.89 × 103

UEG-54

4.82 × 103

3.42 × 103

7.1 × 103

4.73 × 103

UEG-114

1.64 × 104

1.15 × 104

9.42 × 103

7.9 × 103

Diamond-8

2.25 × 104

3.87 × 104

7.02 × 103

5.64 × 103

Diamond-64

1.88 × 106

2.43 × 106

5.81 × 104

2.94 × 104

NiO-8

1.54 × 105

2.76 × 105

1.08 × 104

1.11 × 104

NiO-64

1.42 × 107

1.85 × 107

9.51 × 104

8.03 × 104

  1. Resources and one-norm are shown for a method developed in this work with dual plane waves and the plane-wave algorithm of ref. 25. min-T means QROAM was used that minimizes the number of Toffoli gates. The number of electrons and orbitals are the same as in Tables 3 and 4 and for UEG-14 we used 512 basis functions. Bold font indicates smaller value.
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