Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

Wenli Zou
qcband@gmail.com

Morokuma's decomposition method is available only for restricted Hartree-Fock (RHF) wavefunction. A closely related method is SAPT, which can deal with DFT wavefunction.

http://www.physics.udel.edu/~szalewic/SAPT/

The program supports GAMESS, but maybe Firefly also works.

Best,
Wenli