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. 2024 May 10;20(10):4265–4277. doi: 10.1021/acs.jctc.4c00106

Table 1. Maximum Positions and Half Widths of the Fitted Spectra (in eV)a.

  maximum
half width
  classical quantized classical quantized
n = 45 0.643 0.629 (−14) 0.425 0.432 (+7)
n = 200 2.075 2.046 (−29) 0.603 0.703 (+100)
bulk 1.883 1.863 (−20) 0.706 0.773 (+67)
a

The shifts are in parentheses (in meV).