Q-Chem 4.3 User’s Manual

3.12 User-Defined Exchange-Correlation Density Functionals
($xc_functional)

The EXCHANGE and CORRELATION $rem variables (Chapter 4) allow the user to indicate that the exchange-correlation density functional will be user-defined. The user defined exchange-correlation is to be entered in the $xc_functional part of the input. The format is:

$xc_functional
   X  exchange_symbol  coefficient
   X  exchange_symbol  coefficient
   ...
   C  correlation_symbol  coefficient
   C  correlation_symbol  coefficient
   ...
   K  coefficient
$end

Note: Coefficients are real numbers.