Updated Results Table for Exercise 4.14

8 Jan 2016 by

The results given in the text on page 191 are for the B3LYP method rather than for APFD. Here is an updated table incorporating the results from both functionals (all values are in au):

Non-Linear Optical Properties
  β γ
  calc.   calc.  
molec. B3LYP APFD exp. B3LYP APFD exp.
CH3CN 28.1 25.6 26.3 4567 4204 4619
CH3F 43.0 51.8 -57.0 1766 1681 2617
CH3Cl 13.2 15.8 13.3 3404 3229 6860

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