1 Ry = 13.6058 eV ・ 1 eV = 96.4853 kJ/mol = 1.60217646 e-19 J = 8065.73 cm-1 ・ 1 cal = 4.184 J ・ 1 cm-1 = 1.23981E-4 eV 長さ ・ 1 au(bohr) = 0.529177 A
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