Algorithm of FMO method[1]

where N is the number of fragments in target molecule.
Other properties such as electron populations and the dipole moment can be obtained in same manner.

              Fig. Flowchart of FMO calculation

Reference: [1] K. Kitaura et al., Chem. Phys. Lett., 313 (1999) 701

Last modified: Mon Nov 28 01:16:41 JST 2011