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Fock matrix in the basis of molecular orbitals
Dmitry
dmitry.ryndyk@physik.uni-regensburg.de
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 ]
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Fri Nov 19 '10 4:19pm
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