New Relationships Connecting the Dipole Polarizability, Radius, and Second Ionization Potential for Atoms

作者：Hohm Uwe^*; Thakkar Ajit J

来源：Journal of Physical Chemistry A, 2012, 116(1): 697-703.

DOI：10.1021/jp2094438

The atomic dipole polarizability alpha of the 101 elements from He to No is related to the second ionization potential 12 and the Waber-Cromer radius r(WC). Our recommended model is the function alpha = P(1) center dot I(2)(-4) + P(2) center dot r(WC)(3)I(2)(y). With the parameters P(1) = 2.26, P(2) = 3.912, and y = 0.439, it reproduces the polarizabilities of all 101 elements%26apos; with a mean absolute deviation of 7.5 au.

• 出版日期2012-1-12