1 a.u.(电荷)= e =1.6021892×10 -19 C 1 a.u.(能量)= 1 Hartree = mee 4 /((4πε0) 2 ħ 2 ) = 27.2114 eV = 15.56893 mDyne/Å 1 a.u.(角动量)= ħ = 1.0545887×10 -34 J·s
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