Bond lengths exchange-correlation functionals

Table 15.1 Comparison of the carbon tetrachloride dimer bond lengths (in A) calculated with the 80 exchange-correlation functionals using the aug-cc-pVTZ basis set...

Table 2. Theoretical bond lengths and hydration energies compared with experimental data (in parentheses). Values in bold are relativistic density functional results from Collins (1997) calculated using the Perdew (1986) exchange-correlation functional. Values in brackets are HF results.

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