Table 3 QiankunNet solver time (s) and total time (s) for DMET-QiankunNet method with four different systems calculated in this work

From: Quantum embedding method with transformer neural network quantum states for strongly correlated materials

System

Nf

Nso

Solver time

Total time

ratio

H-Chain

1

8

760.85

782

97.30%

Diamond (2s2p)

2

16

5857.35

6311

92.81%

Diamond (2s2p3s3p)

2

24

35,707.70

39,328.13

90.79%

NiO

2

40

66,376.09

86,768

76.50%

  1. Nf is the number of fragments in the system, Nso is the number of spin-orbitals in the embedding Hamiltonian.
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