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. 2023 Jul 31;23(9):6765–6773. doi: 10.1021/acs.cgd.3c00634

Table 4. Peierls Coupling Constants of αI-QAa.

exp (cm–1) DFT (cm–1) gP(a) (meV) gP(b) (meV) gP(L) (meV)
  18.2 1.8 1.8  
41 45.2 –7.5 1.1  
97 85.6 –5.9 1.3 2.3
125 131.8 6.4 –0.7  
181 161.7 4.3   1.5
a

Only gP values greater than 1.0 meV are reported.