Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Fock matrix in the basis of molecular orbitals
Is it possible to calculate the Fock matrix in the basis of arbitrary set of molecular orbitals, given in $vec group? Assuming that first N orbitals are occupied.
[ This message was edited on Fri Nov 19 '10 at 4:19pm by the author ]
Fri Nov 19 '10 4:19pm
This message read 823 times